N-[3-(4-tert-butylbenzoyl)phenyl]-4-chlorobenzenesulfonamide

C23H22ClNO3S — CID 92682052

IUPACN-[3-(4-tert-butylbenzoyl)phenyl]-4-chlorobenzenesulfonamide
SMILESCC(C)(C)c1ccc(C(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C23H22ClNO3S/c1-23(2,3)18-9-7-16(8-10-18)22(26)17-5-4-6-20(15-17)25-29(27,28)21-13-11-19(24)12-14-21/h4-15,25H,1-3H3
InChIKeyYEVSWHBVEGKHKT-UHFFFAOYSA-N
MW427.95 g/mol
LogP5.67
Rot. Bonds5

About N-[3-(4-tert-butylbenzoyl)phenyl]-4-chlorobenzenesulfonamide

N-[3-(4-tert-butylbenzoyl)phenyl]-4-chlorobenzenesulfonamide (PubChem CID 92682052) has the molecular formula C23H22ClNO3S and a molecular weight of 427.95 g/mol. Its IUPAC name is N-[3-(4-tert-butylbenzoyl)phenyl]-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-tert-butylbenzoyl)phenyl]-4-chlorobenzenesulfonamide
PubChem CID92682052
Molecular FormulaC23H22ClNO3S
Molecular Weight427.95 g/mol
Exact Mass427.10
IUPAC NameN-[3-(4-tert-butylbenzoyl)phenyl]-4-chlorobenzenesulfonamide
SMILESCC(C)(C)c1ccc(C(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C23H22ClNO3S/c1-23(2,3)18-9-7-16(8-10-18)22(26)17-5-4-6-20(15-17)25-29(27,28)21-13-11-19(24)12-14-21/h4-15,25H,1-3H3
InChIKeyYEVSWHBVEGKHKT-UHFFFAOYSA-N
XLogP5.67
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.95
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-tert-butylphenyl)sulfonylamino]benzoate
CID 7720201
3-[(4-chlorophenyl)sulfonylamino]benzoic acid
CID 773554
4-(benzenesulfonamido)-N-[3-(4-tert-butylbenzoyl)phenyl]benzamide
CID 92676676
3-[(4-tert-butylphenyl)sulfonylamino]-N-methylbenzamide
CID 31580711
N-[3-(4-tert-butylbenzoyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 99954228
N-[3-(4-chlorobenzoyl)phenyl]methanesulfonamide
CID 110427114
N-[3-(4-tert-butylbenzoyl)phenyl]-4-methyl-3-nitrobenzenesulfonamide
CID 92676130
N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]benzamide
CID 1216913
3-[(4-tert-butylphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide
CID 47092083
N-[5-[[3-(4-tert-butylbenzoyl)phenyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 100577496
N-(3-benzoylphenyl)-2,4-dichlorobenzenesulfonamide
CID 90665331
N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-chloro-N-methylsulfonylanilino)acetamide
CID 92672616

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-tert-butylbenzoyl)phenyl]-4-chlorobenzenesulfonamide?
The IUPAC name of N-[3-(4-tert-butylbenzoyl)phenyl]-4-chlorobenzenesulfonamide (CID 92682052) is N-[3-(4-tert-butylbenzoyl)phenyl]-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-[3-(4-tert-butylbenzoyl)phenyl]-4-chlorobenzenesulfonamide?
The canonical SMILES for N-[3-(4-tert-butylbenzoyl)phenyl]-4-chlorobenzenesulfonamide is CC(C)(C)c1ccc(C(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)cc1.
What is the InChIKey of N-[3-(4-tert-butylbenzoyl)phenyl]-4-chlorobenzenesulfonamide?
The InChIKey is YEVSWHBVEGKHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNO3S/c1-23(2,3)18-9-7-16(8-10-18)22(26)17-5-4-6-20(15-17)25-29(27,28)21-13-11-19(24)12-14-21/h4-15,25H,1-3H3.
What are the key properties of N-[3-(4-tert-butylbenzoyl)phenyl]-4-chlorobenzenesulfonamide?
N-[3-(4-tert-butylbenzoyl)phenyl]-4-chlorobenzenesulfonamide has a molecular weight of 427.95 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-tert-butylbenzoyl)phenyl]-4-chlorobenzenesulfonamide is sourced from PubChem (CID 92682052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).