N-(4-chloro-2-methoxy-5-methylphenyl)-4-propan-2-ylbenzenesulfonamide

C17H20ClNO3S — CID 30156649

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-4-propan-2-ylbenzenesulfonamide
SMILESCOc1cc(Cl)c(C)cc1NS(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H20ClNO3S/c1-11(2)13-5-7-14(8-6-13)23(20,21)19-16-9-12(3)15(18)10-17(16)22-4/h5-11,19H,1-4H3
InChIKeyVBWHKNSKKAQTRF-UHFFFAOYSA-N
MW353.87 g/mol
LogP4.58
Rot. Bonds5

About N-(4-chloro-2-methoxy-5-methylphenyl)-4-propan-2-ylbenzenesulfonamide

N-(4-chloro-2-methoxy-5-methylphenyl)-4-propan-2-ylbenzenesulfonamide (PubChem CID 30156649) has the molecular formula C17H20ClNO3S and a molecular weight of 353.87 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-4-propan-2-ylbenzenesulfonamide
PubChem CID30156649
Molecular FormulaC17H20ClNO3S
Molecular Weight353.87 g/mol
Exact Mass353.09
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-4-propan-2-ylbenzenesulfonamide
SMILESCOc1cc(Cl)c(C)cc1NS(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H20ClNO3S/c1-11(2)13-5-7-14(8-6-13)23(20,21)19-16-9-12(3)15(18)10-17(16)22-4/h5-11,19H,1-4H3
InChIKeyVBWHKNSKKAQTRF-UHFFFAOYSA-N
XLogP4.58
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.87
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide
CID 60641377
4-acetyl-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide
CID 7940785
N-(2-methoxy-4-nitrophenyl)-4-propan-2-ylbenzenesulfonamide
CID 22774306
N-(4-chloro-2,5-dimethoxyphenyl)-4-(2-methylpropyl)benzenesulfonamide
CID 22774049
methyl 3-[(4-chloro-2-methoxy-5-methylphenyl)sulfamoyl]benzoate
CID 31700482
N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-sulfonamide
CID 8523500
N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide
CID 710996
4-acetyl-N-(2-methoxy-4-propan-2-ylphenyl)benzenesulfonamide
CID 110777599
5-tert-butyl-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylbenzenesulfonamide
CID 7940782
5-(aminomethyl)-N-(4-chloro-2-methoxy-5-methylphenyl)furan-2-sulfonamide
CID 106056911
N-(4-chloro-2-methoxy-5-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 7993271
N-(4-chloro-2-methoxy-5-methylphenyl)-2,3,4-trifluorobenzenesulfonamide
CID 8523518

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-4-propan-2-ylbenzenesulfonamide (CID 30156649) is N-(4-chloro-2-methoxy-5-methylphenyl)-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-4-propan-2-ylbenzenesulfonamide is COc1cc(Cl)c(C)cc1NS(=O)(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-4-propan-2-ylbenzenesulfonamide?
The InChIKey is VBWHKNSKKAQTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO3S/c1-11(2)13-5-7-14(8-6-13)23(20,21)19-16-9-12(3)15(18)10-17(16)22-4/h5-11,19H,1-4H3.
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-4-propan-2-ylbenzenesulfonamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-4-propan-2-ylbenzenesulfonamide has a molecular weight of 353.87 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 30156649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).