5-tert-butyl-N-(2-chlorophenyl)-2-methylbenzenesulfonamide

C17H20ClNO2S — CID 7938602

IUPAC5-tert-butyl-N-(2-chlorophenyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H20ClNO2S/c1-12-9-10-13(17(2,3)4)11-16(12)22(20,21)19-15-8-6-5-7-14(15)18/h5-11,19H,1-4H3
InChIKeyMCTLNCGKPDGQAQ-UHFFFAOYSA-N
MW337.87 g/mol
LogP4.75
Rot. Bonds3

About 5-tert-butyl-N-(2-chlorophenyl)-2-methylbenzenesulfonamide

5-tert-butyl-N-(2-chlorophenyl)-2-methylbenzenesulfonamide (PubChem CID 7938602) has the molecular formula C17H20ClNO2S and a molecular weight of 337.87 g/mol. Its IUPAC name is 5-tert-butyl-N-(2-chlorophenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-tert-butyl-N-(2-chlorophenyl)-2-methylbenzenesulfonamide
PubChem CID7938602
Molecular FormulaC17H20ClNO2S
Molecular Weight337.87 g/mol
Exact Mass337.09
IUPAC Name5-tert-butyl-N-(2-chlorophenyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H20ClNO2S/c1-12-9-10-13(17(2,3)4)11-16(12)22(20,21)19-15-8-6-5-7-14(15)18/h5-11,19H,1-4H3
InChIKeyMCTLNCGKPDGQAQ-UHFFFAOYSA-N
XLogP4.75
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 ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 47308992
5-tert-butyl-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylbenzenesulfonamide
CID 7940782
5-tert-butyl-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylbenzenesulfonamide
CID 7938313
5-tert-butyl-N-[2-(difluoromethoxy)phenyl]-2-methylbenzenesulfonamide
CID 7940917
5-tert-butyl-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 7939111
N-(2-chlorophenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 47148910
2-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]pyridine-3-sulfonamide
CID 24621317
(2R)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-methylbutanamide
CID 35560710
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-methylsulfanylacetamide
CID 9243850
5-chloro-N-(3-chloro-2-fluorophenyl)-2-methylbenzenesulfonamide
CID 38890087
methyl 2-[(5-tert-butyl-2-methylphenyl)sulfonylamino]-4-chlorobenzoate
CID 2493561
4-chloro-N-(2-chlorophenyl)-3-methylbenzenesulfonamide
CID 839413

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(2-chlorophenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-tert-butyl-N-(2-chlorophenyl)-2-methylbenzenesulfonamide (CID 7938602) is 5-tert-butyl-N-(2-chlorophenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-tert-butyl-N-(2-chlorophenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-tert-butyl-N-(2-chlorophenyl)-2-methylbenzenesulfonamide is Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccccc1Cl.
What is the InChIKey of 5-tert-butyl-N-(2-chlorophenyl)-2-methylbenzenesulfonamide?
The InChIKey is MCTLNCGKPDGQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2S/c1-12-9-10-13(17(2,3)4)11-16(12)22(20,21)19-15-8-6-5-7-14(15)18/h5-11,19H,1-4H3.
What are the key properties of 5-tert-butyl-N-(2-chlorophenyl)-2-methylbenzenesulfonamide?
5-tert-butyl-N-(2-chlorophenyl)-2-methylbenzenesulfonamide has a molecular weight of 337.87 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(2-chlorophenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 7938602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).