N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide

C15H16ClNO4S — CID 7354133

IUPACN-(5-chloro-2-methoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)cc1C
InChIInChI=1S/C15H16ClNO4S/c1-10-8-12(5-7-14(10)20-2)22(18,19)17-13-9-11(16)4-6-15(13)21-3/h4-9,17H,1-3H3
InChIKeyNKZABVHODFXVNL-UHFFFAOYSA-N
MW341.82 g/mol
LogP3.47
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide

N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide (PubChem CID 7354133) has the molecular formula C15H16ClNO4S and a molecular weight of 341.82 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide
PubChem CID7354133
Molecular FormulaC15H16ClNO4S
Molecular Weight341.82 g/mol
Exact Mass341.05
IUPAC NameN-(5-chloro-2-methoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)cc1C
InChIInChI=1S/C15H16ClNO4S/c1-10-8-12(5-7-14(10)20-2)22(18,19)17-13-9-11(16)4-6-15(13)21-3/h4-9,17H,1-3H3
InChIKeyNKZABVHODFXVNL-UHFFFAOYSA-N
XLogP3.47
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.82
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 40727135
N-(5-chloro-2-methoxyphenyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide
CID 46417535
3-chloro-N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 5202468
methyl 2-[4-[(5-chloro-2-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetate
CID 2213582
N-(5-chloro-2-methoxyphenyl)-6-methoxynaphthalene-2-sulfonamide
CID 100666504
N-[2-chloro-4-[(5-chloro-2-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 25042468
N-(5-chloro-2-methoxyphenyl)-3,4-diethoxybenzenesulfonamide
CID 9172723
N-(5-chloro-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 2697102
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
N-(5-tert-butyl-2-methoxyphenyl)-4-chlorobenzenesulfonamide
CID 7940797
N-(2-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 40727137
N-(5-chloro-2-methoxyphenyl)-4-ethoxy-3-propan-2-ylbenzenesulfonamide
CID 6456783

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide (CID 7354133) is N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)cc1C.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide?
The InChIKey is NKZABVHODFXVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO4S/c1-10-8-12(5-7-14(10)20-2)22(18,19)17-13-9-11(16)4-6-15(13)21-3/h4-9,17H,1-3H3.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide?
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide has a molecular weight of 341.82 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide is sourced from PubChem (CID 7354133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).