N-(4-chlorophenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide

C17H20ClNO2S — CID 4644491

IUPACN-(4-chlorophenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)Nc2ccc(Cl)cc2)c(C)c1C
InChIInChI=1S/C17H20ClNO2S/c1-10-11(2)13(4)17(14(5)12(10)3)22(20,21)19-16-8-6-15(18)7-9-16/h6-9,19H,1-5H3
InChIKeyPFGMYALYQDIIGO-UHFFFAOYSA-N
MW337.87 g/mol
LogP4.68
Rot. Bonds3

About N-(4-chlorophenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide

N-(4-chlorophenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide (PubChem CID 4644491) has the molecular formula C17H20ClNO2S and a molecular weight of 337.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
PubChem CID4644491
Molecular FormulaC17H20ClNO2S
Molecular Weight337.87 g/mol
Exact Mass337.09
IUPAC NameN-(4-chlorophenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)Nc2ccc(Cl)cc2)c(C)c1C
InChIInChI=1S/C17H20ClNO2S/c1-10-11(2)13(4)17(14(5)12(10)3)22(20,21)19-16-8-6-15(18)7-9-16/h6-9,19H,1-5H3
InChIKeyPFGMYALYQDIIGO-UHFFFAOYSA-N
XLogP4.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.87
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-chlorophenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(4-chlorophenyl)-3,6-dimethylbenzenesulfonamide
CID 103170975
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
N-(4-chlorophenyl)-4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide
CID 3780548
N-(4-chlorophenyl)-3-(methanesulfonamido)-2,4,6-trimethylbenzenesulfonamide
CID 55879000
2,3,4,5,6-pentamethyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide
CID 3703667
4-[(4-chlorophenyl)sulfonylamino]-N-ethylbenzenesulfonamide
CID 22203365
N-(4-chlorophenyl)-3,4-dimethylbenzenesulfonamide
CID 7985042
3-amino-N-(4-chlorophenyl)-4,5-dimethylbenzenesulfonamide
CID 29276916
N-(4-chlorophenyl)-3-methylbenzenesulfonamide
CID 805135
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 22771837
4-[2-[4-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 87541673
2-methoxy-N-[4-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]phenyl]acetamide
CID 35541901

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide?
The IUPAC name of N-(4-chlorophenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide (CID 4644491) is N-(4-chlorophenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide is Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(Cl)cc2)c(C)c1C.
What is the InChIKey of N-(4-chlorophenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide?
The InChIKey is PFGMYALYQDIIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2S/c1-10-11(2)13(4)17(14(5)12(10)3)22(20,21)19-16-8-6-15(18)7-9-16/h6-9,19H,1-5H3.
What are the key properties of N-(4-chlorophenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide?
N-(4-chlorophenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide has a molecular weight of 337.87 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide is sourced from PubChem (CID 4644491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).