N-[7-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide;3-chloro-5-[2-[4-(7-methylsulfonyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)phenyl]propan-2-yl]-2-propoxybenzonitrile;3-chloro-5-[2-[4-(6-methylsulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-yl)phenyl]propan-2-yl]-2-propoxybenzonitrile;3-chloro-5-[2-[4-[7-(methylsulfonylmethyl)-5,6,7,8-tetrahydroquinolin-3-yl]phenyl]propan-2-yl]-2-propoxybenzonitrile

C113H120Cl5N11O13S4 — CID 167674000

About N-[7-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide;3-chloro-5-[2-[4-(7-methylsulfonyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)phenyl]propan-2-yl]-2-propoxybenzonitrile;3-chloro-5-[2-[4-(6-methylsulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-yl)phenyl]propan-2-yl]-2-propoxybenzonitrile;3-chloro-5-[2-[4-[7-(methylsulfonylmethyl)-5,6,7,8-tetrahydroquinolin-3-yl]phenyl]propan-2-yl]-2-propoxybenzonitrile

N-[7-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide;3-chloro-5-[2-[4-(7-methylsulfonyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)phenyl]propan-2-yl]-2-propoxybenzonitrile;3-chloro-5-[2-[4-(6-methylsulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-yl)phenyl]propan-2-yl]-2-propoxybenzonitrile;3-chloro-5-[2-[4-[7-(methylsulfonylmethyl)-5,6,7,8-tetrahydroquinolin-3-yl]phenyl]propan-2-yl]-2-propoxybenzonitrile (PubChem CID 167674000) has the molecular formula C113H120Cl5N11O13S4 and a molecular weight of 2145.80 g/mol. Its IUPAC name is N-[7-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide;3-chloro-5-[2-[4-(7-methylsulfonyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)phenyl]propan-2-yl]-2-propoxybenzonitrile;3-chloro-5-[2-[4-(6-methylsulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-yl)phenyl]propan-2-yl]-2-propoxybenzonitrile;3-chloro-5-[2-[4-[7-(methylsulfonylmethyl)-5,6,7,8-tetrahydroquinolin-3-yl]phenyl]propan-2-yl]-2-propoxybenzonitrile.

Molecular Properties

• Compound Name: N-[7-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide;3-chloro-5-[2-[4-(7-methylsulfonyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)phenyl]propan-2-yl]-2-propoxybenzonitrile;3-chloro-5-[2-[4-(6-methylsulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-yl)phenyl]propan-2-yl]-2-propoxybenzonitrile;3-chloro-5-[2-[4-[7-(methylsulfonylmethyl)-5,6,7,8-tetrahydroquinolin-3-yl]phenyl]propan-2-yl]-2-propoxybenzonitrile
• PubChem CID: 167674000
• Molecular Formula: C113H120Cl5N11O13S4
• Molecular Weight: 2145.80 g/mol
• Exact Mass: 2141.64
• IUPAC Name: N-[7-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide;3-chloro-5-[2-[4-(7-methylsulfonyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)phenyl]propan-2-yl]-2-propoxybenzonitrile;3-chloro-5-[2-[4-(6-methylsulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-yl)phenyl]propan-2-yl]-2-propoxybenzonitrile;3-chloro-5-[2-[4-[7-(methylsulfonylmethyl)-5,6,7,8-tetrahydroquinolin-3-yl]phenyl]propan-2-yl]-2-propoxybenzonitrile
• SMILES: CC(C)(c1ccc(-c2ccc3c(c2)OCCC3NS(C)(=O)=O)cc1)c1cc(Cl)c(OCCCl)c(C#N)c1.CCCOc1c(Cl)cc(C(C)(C)c2ccc(-c3cnc4c(c3)CCC(CS(C)(=O)=O)C4)cc2)cc1C#N.CCCOc1c(Cl)cc(C(C)(C)c2ccc(-c3cnc4c(c3)CCN(S(C)(=O)=O)C4)cc2)cc1C#N.CCCOc1c(Cl)cc(C(C)(C)c2ccc(-c3cnc4c(n3)CCN(S(C)(=O)=O)C4)cc2)cc1C#N
• InChI: InChI=1S/C30H33ClN2O3S.C28H28Cl2N2O4S.C28H30ClN3O3S.C27H29ClN4O3S/c1-5-12-36-29-23(17-32)15-26(16-27(29)31)30(2,3)25-10-8-21(9-11-25)24-14-22-7-6-20(19-37(4,34)35)13-28(22)33-18-24;1-28(2,22-14-20(17-31)27(24(30)16-22)36-13-11-29)21-7-4-18(5-8-21)19-6-9-23-25(32-37(3,33)34)10-12-35-26(23)15-19;1-5-12-35-27-21(16-30)14-24(15-25(27)29)28(2,3)23-8-6-19(7-9-23)22-13-20-10-11-32(36(4,33)34)18-26(20)31-17-22;1-5-12-35-26-19(15-29)13-21(14-22(26)28)27(2,3)20-8-6-18(7-9-20)24-16-30-25-17-32(36(4,33)34)11-10-23(25)31-24/h8-11,14-16,18,20H,5-7,12-13,19H2,1-4H3;4-9,14-16,25,32H,10-13H2,1-3H3;6-9,13-15,17H,5,10-12,18H2,1-4H3;6-9,13-14,16H,5,10-12,17H2,1-4H3
• InChIKey: UNYGPFRAJXYWOQ-UHFFFAOYSA-N
• XLogP: 23.54
• TPSA: 347.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Rotatable Bonds: 30
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2145.80
LogP ≤ 5	23.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[7-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide;3-chloro-5-[2-[4-(7-methylsulfonyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)phenyl]propan-2-yl]-2-propoxybenzonitrile;3-chloro-5-[2-[4-(6-methylsulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-yl)phenyl]propan-2-yl]-2-propoxybenzonitrile;3-chloro-5-[2-[4-[7-(methylsulfonylmethyl)-5,6,7,8-tetrahydroquinolin-3-yl]phenyl]propan-2-yl]-2-propoxybenzonitrile?

The IUPAC name of N-[7-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide;3-chloro-5-[2-[4-(7-methylsulfonyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)phenyl]propan-2-yl]-2-propoxybenzonitrile;3-chloro-5-[2-[4-(6-methylsulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-yl)phenyl]propan-2-yl]-2-propoxybenzonitrile;3-chloro-5-[2-[4-[7-(methylsulfonylmethyl)-5,6,7,8-tetrahydroquinolin-3-yl]phenyl]propan-2-yl]-2-propoxybenzonitrile (CID 167674000) is N-[7-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide;3-chloro-5-[2-[4-(7-methylsulfonyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)phenyl]propan-2-yl]-2-propoxybenzonitrile;3-chloro-5-[2-[4-(6-methylsulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-yl)phenyl]propan-2-yl]-2-propoxybenzonitrile;3-chloro-5-[2-[4-[7-(methylsulfonylmethyl)-5,6,7,8-tetrahydroquinolin-3-yl]phenyl]propan-2-yl]-2-propoxybenzonitrile.

What is the SMILES notation for N-[7-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide;3-chloro-5-[2-[4-(7-methylsulfonyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)phenyl]propan-2-yl]-2-propoxybenzonitrile;3-chloro-5-[2-[4-(6-methylsulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-yl)phenyl]propan-2-yl]-2-propoxybenzonitrile;3-chloro-5-[2-[4-[7-(methylsulfonylmethyl)-5,6,7,8-tetrahydroquinolin-3-yl]phenyl]propan-2-yl]-2-propoxybenzonitrile?

The canonical SMILES for N-[7-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide;3-chloro-5-[2-[4-(7-methylsulfonyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)phenyl]propan-2-yl]-2-propoxybenzonitrile;3-chloro-5-[2-[4-(6-methylsulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-yl)phenyl]propan-2-yl]-2-propoxybenzonitrile;3-chloro-5-[2-[4-[7-(methylsulfonylmethyl)-5,6,7,8-tetrahydroquinolin-3-yl]phenyl]propan-2-yl]-2-propoxybenzonitrile is CC(C)(c1ccc(-c2ccc3c(c2)OCCC3NS(C)(=O)=O)cc1)c1cc(Cl)c(OCCCl)c(C#N)c1.CCCOc1c(Cl)cc(C(C)(C)c2ccc(-c3cnc4c(c3)CCC(CS(C)(=O)=O)C4)cc2)cc1C#N.CCCOc1c(Cl)cc(C(C)(C)c2ccc(-c3cnc4c(c3)CCN(S(C)(=O)=O)C4)cc2)cc1C#N.CCCOc1c(Cl)cc(C(C)(C)c2ccc(-c3cnc4c(n3)CCN(S(C)(=O)=O)C4)cc2)cc1C#N.

What is the InChIKey of N-[7-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide;3-chloro-5-[2-[4-(7-methylsulfonyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)phenyl]propan-2-yl]-2-propoxybenzonitrile;3-chloro-5-[2-[4-(6-methylsulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-yl)phenyl]propan-2-yl]-2-propoxybenzonitrile;3-chloro-5-[2-[4-[7-(methylsulfonylmethyl)-5,6,7,8-tetrahydroquinolin-3-yl]phenyl]propan-2-yl]-2-propoxybenzonitrile?

The InChIKey is UNYGPFRAJXYWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33ClN2O3S.C28H28Cl2N2O4S.C28H30ClN3O3S.C27H29ClN4O3S/c1-5-12-36-29-23(17-32)15-26(16-27(29)31)30(2,3)25-10-8-21(9-11-25)24-14-22-7-6-20(19-37(4,34)35)13-28(22)33-18-24;1-28(2,22-14-20(17-31)27(24(30)16-22)36-13-11-29)21-7-4-18(5-8-21)19-6-9-23-25(32-37(3,33)34)10-12-35-26(23)15-19;1-5-12-35-27-21(16-30)14-24(15-25(27)29)28(2,3)23-8-6-19(7-9-23)22-13-20-10-11-32(36(4,33)34)18-26(20)31-17-22;1-5-12-35-26-19(15-29)13-21(14-22(26)28)27(2,3)20-8-6-18(7-9-20)24-16-30-25-17-32(36(4,33)34)11-10-23(25)31-24/h8-11,14-16,18,20H,5-7,12-13,19H2,1-4H3;4-9,14-16,25,32H,10-13H2,1-3H3;6-9,13-15,17H,5,10-12,18H2,1-4H3;6-9,13-14,16H,5,10-12,17H2,1-4H3.

What are the key properties of N-[7-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide;3-chloro-5-[2-[4-(7-methylsulfonyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)phenyl]propan-2-yl]-2-propoxybenzonitrile;3-chloro-5-[2-[4-(6-methylsulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-yl)phenyl]propan-2-yl]-2-propoxybenzonitrile;3-chloro-5-[2-[4-[7-(methylsulfonylmethyl)-5,6,7,8-tetrahydroquinolin-3-yl]phenyl]propan-2-yl]-2-propoxybenzonitrile?

N-[7-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide;3-chloro-5-[2-[4-(7-methylsulfonyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)phenyl]propan-2-yl]-2-propoxybenzonitrile;3-chloro-5-[2-[4-(6-methylsulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-yl)phenyl]propan-2-yl]-2-propoxybenzonitrile;3-chloro-5-[2-[4-[7-(methylsulfonylmethyl)-5,6,7,8-tetrahydroquinolin-3-yl]phenyl]propan-2-yl]-2-propoxybenzonitrile has a molecular weight of 2145.80 g/mol, XLogP of 23.54, 30 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenyl]-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide;3-chloro-5-[2-[4-(7-methylsulfonyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)phenyl]propan-2-yl]-2-propoxybenzonitrile;3-chloro-5-[2-[4-(6-methylsulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-yl)phenyl]propan-2-yl]-2-propoxybenzonitrile;3-chloro-5-[2-[4-[7-(methylsulfonylmethyl)-5,6,7,8-tetrahydroquinolin-3-yl]phenyl]propan-2-yl]-2-propoxybenzonitrile is sourced from PubChem (CID 167674000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).