N-(2-benzoyl-4-chlorophenyl)-N,4-dimethylbenzenesulfonamide

C21H18ClNO3S — CID 1379975

IUPACN-(2-benzoyl-4-chlorophenyl)-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(Cl)cc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C21H18ClNO3S/c1-15-8-11-18(12-9-15)27(25,26)23(2)20-13-10-17(22)14-19(20)21(24)16-6-4-3-5-7-16/h3-14H,1-2H3
InChIKeySBQJVYBXGXVGTI-UHFFFAOYSA-N
MW399.90 g/mol
LogP4.70
Rot. Bonds5

About N-(2-benzoyl-4-chlorophenyl)-N,4-dimethylbenzenesulfonamide

N-(2-benzoyl-4-chlorophenyl)-N,4-dimethylbenzenesulfonamide (PubChem CID 1379975) has the molecular formula C21H18ClNO3S and a molecular weight of 399.90 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-N,4-dimethylbenzenesulfonamide
PubChem CID1379975
Molecular FormulaC21H18ClNO3S
Molecular Weight399.90 g/mol
Exact Mass399.07
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(Cl)cc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C21H18ClNO3S/c1-15-8-11-18(12-9-15)27(25,26)23(2)20-13-10-17(22)14-19(20)21(24)16-6-4-3-5-7-16/h3-14H,1-2H3
InChIKeySBQJVYBXGXVGTI-UHFFFAOYSA-N
XLogP4.70
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.90
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-N,4-dimethylbenzenesulfonamide (CID 1379975) is N-(2-benzoyl-4-chlorophenyl)-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-N,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)c2ccc(Cl)cc2C(=O)c2ccccc2)cc1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-N,4-dimethylbenzenesulfonamide?
The InChIKey is SBQJVYBXGXVGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO3S/c1-15-8-11-18(12-9-15)27(25,26)23(2)20-13-10-17(22)14-19(20)21(24)16-6-4-3-5-7-16/h3-14H,1-2H3.
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-N,4-dimethylbenzenesulfonamide?
N-(2-benzoyl-4-chlorophenyl)-N,4-dimethylbenzenesulfonamide has a molecular weight of 399.90 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 1379975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).