5-tert-butyl-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylbenzenesulfonamide

C19H24ClNO3S — CID 7940782

IUPAC5-tert-butyl-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylbenzenesulfonamide
SMILESCOc1cc(Cl)c(C)cc1NS(=O)(=O)c1cc(C(C)(C)C)ccc1C
InChIInChI=1S/C19H24ClNO3S/c1-12-7-8-14(19(3,4)5)10-18(12)25(22,23)21-16-9-13(2)15(20)11-17(16)24-6/h7-11,21H,1-6H3
InChIKeyPNFWNDGAMCEHFT-UHFFFAOYSA-N
MW381.93 g/mol
LogP5.06
Rot. Bonds4

About 5-tert-butyl-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylbenzenesulfonamide

5-tert-butyl-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylbenzenesulfonamide (PubChem CID 7940782) has the molecular formula C19H24ClNO3S and a molecular weight of 381.93 g/mol. Its IUPAC name is 5-tert-butyl-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-tert-butyl-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylbenzenesulfonamide
PubChem CID7940782
Molecular FormulaC19H24ClNO3S
Molecular Weight381.93 g/mol
Exact Mass381.12
IUPAC Name5-tert-butyl-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylbenzenesulfonamide
SMILESCOc1cc(Cl)c(C)cc1NS(=O)(=O)c1cc(C(C)(C)C)ccc1C
InChIInChI=1S/C19H24ClNO3S/c1-12-7-8-14(19(3,4)5)10-18(12)25(22,23)21-16-9-13(2)15(20)11-17(16)24-6/h7-11,21H,1-6H3
InChIKeyPNFWNDGAMCEHFT-UHFFFAOYSA-N
XLogP5.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.93
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butyl-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylbenzenesulfonamide
CID 7938313
5-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-2-methylbenzenesulfonamide
CID 27993653
5-tert-butyl-N-(2-chlorophenyl)-2-methylbenzenesulfonamide
CID 7938602
N-(4-chloro-2-methoxy-5-methylphenyl)-2,3,4-trifluorobenzenesulfonamide
CID 8523518
N-(4-chloro-2-methoxy-5-methylphenyl)-2,4-difluorobenzenesulfonamide
CID 8523503
methyl 2-[(5-tert-butyl-2-methylphenyl)sulfonylamino]-4,5-dimethoxybenzoate
CID 7941100
4-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide
CID 60641377
4-chloro-N-(2,4-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 3783398
N-(4-chloro-2-methoxy-5-methylphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8822841
N-(4-chloro-2-methoxy-5-methylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 30156649
N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-sulfonamide
CID 8523500
dimethyl 2-[(4-chloro-2-methoxy-5-methylphenyl)sulfamoyl]benzene-1,4-dicarboxylate
CID 29424922

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-tert-butyl-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylbenzenesulfonamide (CID 7940782) is 5-tert-butyl-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-tert-butyl-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-tert-butyl-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylbenzenesulfonamide is COc1cc(Cl)c(C)cc1NS(=O)(=O)c1cc(C(C)(C)C)ccc1C.
What is the InChIKey of 5-tert-butyl-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylbenzenesulfonamide?
The InChIKey is PNFWNDGAMCEHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO3S/c1-12-7-8-14(19(3,4)5)10-18(12)25(22,23)21-16-9-13(2)15(20)11-17(16)24-6/h7-11,21H,1-6H3.
What are the key properties of 5-tert-butyl-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylbenzenesulfonamide?
5-tert-butyl-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylbenzenesulfonamide has a molecular weight of 381.93 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 7940782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).