4-tert-butyl-N-(4-chloro-2-methylphenyl)benzenesulfonamide

C17H20ClNO2S — CID 3644153

IUPAC4-tert-butyl-N-(4-chloro-2-methylphenyl)benzenesulfonamide
SMILESCc1cc(Cl)ccc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H20ClNO2S/c1-12-11-14(18)7-10-16(12)19-22(20,21)15-8-5-13(6-9-15)17(2,3)4/h5-11,19H,1-4H3
InChIKeyLNIQBDWJOKXZKI-UHFFFAOYSA-N
MW337.87 g/mol
LogP4.75
Rot. Bonds3

About 4-tert-butyl-N-(4-chloro-2-methylphenyl)benzenesulfonamide

4-tert-butyl-N-(4-chloro-2-methylphenyl)benzenesulfonamide (PubChem CID 3644153) has the molecular formula C17H20ClNO2S and a molecular weight of 337.87 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-chloro-2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-(4-chloro-2-methylphenyl)benzenesulfonamide
PubChem CID3644153
Molecular FormulaC17H20ClNO2S
Molecular Weight337.87 g/mol
Exact Mass337.09
IUPAC Name4-tert-butyl-N-(4-chloro-2-methylphenyl)benzenesulfonamide
SMILESCc1cc(Cl)ccc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H20ClNO2S/c1-12-11-14(18)7-10-16(12)19-22(20,21)15-8-5-13(6-9-15)17(2,3)4/h5-11,19H,1-4H3
InChIKeyLNIQBDWJOKXZKI-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-(4-bromo-2-methylphenyl)-4-tert-butylbenzenesulfonamide
CID 22774646
N-(4-chloro-2-methylphenyl)-4-methoxybenzenesulfonamide
CID 4995778
2-[(4-tert-butylphenyl)sulfonylamino]-5-chlorobenzoyl chloride
CID 86618346
4-tert-butyl-N-[4-chloro-2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
CID 24994499
4-tert-butyl-N-[4-chloro-2-(3-methylpyridine-4-carbonyl)phenyl]benzenesulfonamide
CID 10094915
1-N-(4-chloro-2-methylphenyl)-4-N,4-N-diethylbenzene-1,4-disulfonamide
CID 2681540
4-tert-butyl-N-(4-chloro-2-pyridin-1-ium-4-ylsulfonylphenyl)benzenesulfonamide
CID 143141230
4-chloro-N-(4-hydroxy-2-methylphenyl)benzenesulfonamide
CID 3315949
4-tert-butyl-N-[4-(diethylamino)-2-methylphenyl]benzenesulfonamide
CID 1020031
4-amino-3-bromo-N-(4-chloro-2-methylphenyl)benzenesulfonamide
CID 62058293
4-bromo-N-(4-chloro-2-methylphenyl)-3-fluorobenzenesulfonamide
CID 97161969
N-(4-chloro-2-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 40727135

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4-chloro-2-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-(4-chloro-2-methylphenyl)benzenesulfonamide (CID 3644153) is 4-tert-butyl-N-(4-chloro-2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-(4-chloro-2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-(4-chloro-2-methylphenyl)benzenesulfonamide is Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-(4-chloro-2-methylphenyl)benzenesulfonamide?
The InChIKey is LNIQBDWJOKXZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2S/c1-12-11-14(18)7-10-16(12)19-22(20,21)15-8-5-13(6-9-15)17(2,3)4/h5-11,19H,1-4H3.
What are the key properties of 4-tert-butyl-N-(4-chloro-2-methylphenyl)benzenesulfonamide?
4-tert-butyl-N-(4-chloro-2-methylphenyl)benzenesulfonamide 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 4-tert-butyl-N-(4-chloro-2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 3644153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).