N-(5-tert-butyl-2-methoxyphenyl)-4-chlorobenzenesulfonamide

C17H20ClNO3S — CID 7940797

IUPACN-(5-tert-butyl-2-methoxyphenyl)-4-chlorobenzenesulfonamide
SMILESCOc1ccc(C(C)(C)C)cc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClNO3S/c1-17(2,3)12-5-10-16(22-4)15(11-12)19-23(20,21)14-8-6-13(18)7-9-14/h5-11,19H,1-4H3
InChIKeyMUWGWBFHOKPEPY-UHFFFAOYSA-N
MW353.87 g/mol
LogP4.45
Rot. Bonds4

About N-(5-tert-butyl-2-methoxyphenyl)-4-chlorobenzenesulfonamide

N-(5-tert-butyl-2-methoxyphenyl)-4-chlorobenzenesulfonamide (PubChem CID 7940797) has the molecular formula C17H20ClNO3S and a molecular weight of 353.87 g/mol. Its IUPAC name is N-(5-tert-butyl-2-methoxyphenyl)-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-methoxyphenyl)-4-chlorobenzenesulfonamide
PubChem CID7940797
Molecular FormulaC17H20ClNO3S
Molecular Weight353.87 g/mol
Exact Mass353.09
IUPAC NameN-(5-tert-butyl-2-methoxyphenyl)-4-chlorobenzenesulfonamide
SMILESCOc1ccc(C(C)(C)C)cc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClNO3S/c1-17(2,3)12-5-10-16(22-4)15(11-12)19-23(20,21)14-8-6-13(18)7-9-14/h5-11,19H,1-4H3
InChIKeyMUWGWBFHOKPEPY-UHFFFAOYSA-N
XLogP4.45
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.87
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-tert-butyl-2-methoxyphenyl)-3,4-difluorobenzenesulfonamide
CID 2106216
N-(5-tert-butyl-2-methoxyphenyl)-4-chloro-2-fluorobenzenesulfonamide
CID 2454498
4-chloro-N-(5-fluoro-2-methoxyphenyl)benzenesulfonamide
CID 110776607
3-chloro-N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 5202468
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 7354133
methyl 3-[(4-tert-butylphenyl)sulfonylamino]-4-methoxybenzoate
CID 3798192
4-fluoro-N-[2-methoxy-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3463733
N-(5-chloro-2-methoxyphenyl)-6-methoxynaphthalene-2-sulfonamide
CID 100666504
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
N-(5-tert-butyl-2-methoxyphenyl)ethanesulfonamide
CID 6470554
N-(5-chloro-2-methoxyphenyl)-3,4-diethoxybenzenesulfonamide
CID 9172723
N-(5-tert-butyl-2-methoxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 39919060

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-4-chlorobenzenesulfonamide?
The IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-4-chlorobenzenesulfonamide (CID 7940797) is N-(5-tert-butyl-2-methoxyphenyl)-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-(5-tert-butyl-2-methoxyphenyl)-4-chlorobenzenesulfonamide?
The canonical SMILES for N-(5-tert-butyl-2-methoxyphenyl)-4-chlorobenzenesulfonamide is COc1ccc(C(C)(C)C)cc1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(5-tert-butyl-2-methoxyphenyl)-4-chlorobenzenesulfonamide?
The InChIKey is MUWGWBFHOKPEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO3S/c1-17(2,3)12-5-10-16(22-4)15(11-12)19-23(20,21)14-8-6-13(18)7-9-14/h5-11,19H,1-4H3.
What are the key properties of N-(5-tert-butyl-2-methoxyphenyl)-4-chlorobenzenesulfonamide?
N-(5-tert-butyl-2-methoxyphenyl)-4-chlorobenzenesulfonamide has a molecular weight of 353.87 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-methoxyphenyl)-4-chlorobenzenesulfonamide is sourced from PubChem (CID 7940797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).