N,N-bis[2-(4-chlorophenyl)-2-oxoethyl]-4-methylbenzenesulfonamide

C23H19Cl2NO4S — CID 134870135

IUPACN,N-bis[2-(4-chlorophenyl)-2-oxoethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)c2ccc(Cl)cc2)CC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H19Cl2NO4S/c1-16-2-12-21(13-3-16)31(29,30)26(14-22(27)17-4-8-19(24)9-5-17)15-23(28)18-6-10-20(25)11-7-18/h2-13H,14-15H2,1H3
InChIKeyKGTTXMOAJNTHGD-UHFFFAOYSA-N
MW476.38 g/mol
LogP5.06
Rot. Bonds8

About N,N-bis[2-(4-chlorophenyl)-2-oxoethyl]-4-methylbenzenesulfonamide

N,N-bis[2-(4-chlorophenyl)-2-oxoethyl]-4-methylbenzenesulfonamide (PubChem CID 134870135) has the molecular formula C23H19Cl2NO4S and a molecular weight of 476.38 g/mol. Its IUPAC name is N,N-bis[2-(4-chlorophenyl)-2-oxoethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN,N-bis[2-(4-chlorophenyl)-2-oxoethyl]-4-methylbenzenesulfonamide
PubChem CID134870135
Molecular FormulaC23H19Cl2NO4S
Molecular Weight476.38 g/mol
Exact Mass475.04
IUPAC NameN,N-bis[2-(4-chlorophenyl)-2-oxoethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)c2ccc(Cl)cc2)CC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H19Cl2NO4S/c1-16-2-12-21(13-3-16)31(29,30)26(14-22(27)17-4-8-19(24)9-5-17)15-23(28)18-6-10-20(25)11-7-18/h2-13H,14-15H2,1H3
InChIKeyKGTTXMOAJNTHGD-UHFFFAOYSA-N
XLogP5.06
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.38
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-bis[2-(4-chlorophenyl)-2-oxoethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N,N-bis[2-(4-chlorophenyl)-2-oxoethyl]-4-methylbenzenesulfonamide (CID 134870135) is N,N-bis[2-(4-chlorophenyl)-2-oxoethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N,N-bis[2-(4-chlorophenyl)-2-oxoethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N,N-bis[2-(4-chlorophenyl)-2-oxoethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(CC(=O)c2ccc(Cl)cc2)CC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N,N-bis[2-(4-chlorophenyl)-2-oxoethyl]-4-methylbenzenesulfonamide?
The InChIKey is KGTTXMOAJNTHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2NO4S/c1-16-2-12-21(13-3-16)31(29,30)26(14-22(27)17-4-8-19(24)9-5-17)15-23(28)18-6-10-20(25)11-7-18/h2-13H,14-15H2,1H3.
What are the key properties of N,N-bis[2-(4-chlorophenyl)-2-oxoethyl]-4-methylbenzenesulfonamide?
N,N-bis[2-(4-chlorophenyl)-2-oxoethyl]-4-methylbenzenesulfonamide has a molecular weight of 476.38 g/mol, XLogP of 5.06, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[2-(4-chlorophenyl)-2-oxoethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 134870135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).