N-[[4-(3-chloro-2-fluorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[5-hydroxy-2-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[(5-methoxy-2-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide

C63H46ClF4N9O13S4 — CID 90011704

IUPACN-[[4-(3-chloro-2-fluorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[5-hydroxy-2-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[(5-methoxy-2-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4s3)cc2)nc1.O=C(NCc1ccc(S(=O)(=O)c2cc(O)ccc2OC(F)(F)F)cc1)c1cc2ccncc2o1.O=C(NCc1ccc(S(=O)(=O)c2cccc(Cl)c2F)cc1)c1cnc2nccn2c1
InChIInChI=1S/C22H15F3N2O6S.C21H17N3O4S2.C20H14ClFN4O3S/c23-22(24,25)33-17-6-3-15(28)10-20(17)34(30,31)16-4-1-13(2-5-16)11-27-21(29)18-9-14-7-8-26-12-19(14)32-18;1-28-16-4-7-20(23-12-16)30(26,27)17-5-2-14(3-6-17)11-24-21(25)18-10-15-8-9-22-13-19(15)29-18;21-16-2-1-3-17(18(16)22)30(28,29)15-6-4-13(5-7-15)10-24-19(27)14-11-25-20-23-8-9-26(20)12-14/h1-10,12,28H,11H2,(H,27,29);2-10,12-13H,11H2,1H3,(H,24,25);1-9,11-12H,10H2,(H,24,27)
InChIKeyPQOQPQAYVUDWKU-UHFFFAOYSA-N
MW1376.82 g/mol
LogP10.94
Rot. Bonds17

About N-[[4-(3-chloro-2-fluorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[5-hydroxy-2-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[(5-methoxy-2-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide

N-[[4-(3-chloro-2-fluorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[5-hydroxy-2-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[(5-methoxy-2-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 90011704) has the molecular formula C63H46ClF4N9O13S4 and a molecular weight of 1376.82 g/mol. Its IUPAC name is N-[[4-(3-chloro-2-fluorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[5-hydroxy-2-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[(5-methoxy-2-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(3-chloro-2-fluorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[5-hydroxy-2-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[(5-methoxy-2-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID90011704
Molecular FormulaC63H46ClF4N9O13S4
Molecular Weight1376.82 g/mol
Exact Mass1375.17
IUPAC NameN-[[4-(3-chloro-2-fluorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[5-hydroxy-2-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[(5-methoxy-2-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4s3)cc2)nc1.O=C(NCc1ccc(S(=O)(=O)c2cc(O)ccc2OC(F)(F)F)cc1)c1cc2ccncc2o1.O=C(NCc1ccc(S(=O)(=O)c2cccc(Cl)c2F)cc1)c1cnc2nccn2c1
InChIInChI=1S/C22H15F3N2O6S.C21H17N3O4S2.C20H14ClFN4O3S/c23-22(24,25)33-17-6-3-15(28)10-20(17)34(30,31)16-4-1-13(2-5-16)11-27-21(29)18-9-14-7-8-26-12-19(14)32-18;1-28-16-4-7-20(23-12-16)30(26,27)17-5-2-14(3-6-17)11-24-21(25)18-10-15-8-9-22-13-19(15)29-18;21-16-2-1-3-17(18(16)22)30(28,29)15-6-4-13(5-7-15)10-24-19(27)14-11-25-20-23-8-9-26(20)12-14/h1-10,12,28H,11H2,(H,27,29);2-10,12-13H,11H2,1H3,(H,24,25);1-9,11-12H,10H2,(H,24,27)
InChIKeyPQOQPQAYVUDWKU-UHFFFAOYSA-N
XLogP10.94
TPSA310.41 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds17
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001376.82
LogP ≤ 510.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze N-[[4-(3-chloro-2-fluorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[5-hydroxy-2-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[(5-methoxy-2-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-chloro-2-fluorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[5-hydroxy-2-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[(5-methoxy-2-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[4-(3-chloro-2-fluorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[5-hydroxy-2-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[(5-methoxy-2-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide (CID 90011704) is N-[[4-(3-chloro-2-fluorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[5-hydroxy-2-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[(5-methoxy-2-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-(3-chloro-2-fluorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[5-hydroxy-2-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[(5-methoxy-2-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-(3-chloro-2-fluorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[5-hydroxy-2-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[(5-methoxy-2-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide is COc1ccc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4s3)cc2)nc1.O=C(NCc1ccc(S(=O)(=O)c2cc(O)ccc2OC(F)(F)F)cc1)c1cc2ccncc2o1.O=C(NCc1ccc(S(=O)(=O)c2cccc(Cl)c2F)cc1)c1cnc2nccn2c1.
What is the InChIKey of N-[[4-(3-chloro-2-fluorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[5-hydroxy-2-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[(5-methoxy-2-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is PQOQPQAYVUDWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2O6S.C21H17N3O4S2.C20H14ClFN4O3S/c23-22(24,25)33-17-6-3-15(28)10-20(17)34(30,31)16-4-1-13(2-5-16)11-27-21(29)18-9-14-7-8-26-12-19(14)32-18;1-28-16-4-7-20(23-12-16)30(26,27)17-5-2-14(3-6-17)11-24-21(25)18-10-15-8-9-22-13-19(15)29-18;21-16-2-1-3-17(18(16)22)30(28,29)15-6-4-13(5-7-15)10-24-19(27)14-11-25-20-23-8-9-26(20)12-14/h1-10,12,28H,11H2,(H,27,29);2-10,12-13H,11H2,1H3,(H,24,25);1-9,11-12H,10H2,(H,24,27).
What are the key properties of N-[[4-(3-chloro-2-fluorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[5-hydroxy-2-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[(5-methoxy-2-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
N-[[4-(3-chloro-2-fluorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[5-hydroxy-2-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[(5-methoxy-2-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 1376.82 g/mol, XLogP of 10.94, 17 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-chloro-2-fluorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[5-hydroxy-2-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[(5-methoxy-2-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 90011704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).