N-(2-chloro-4-methoxyphenyl)-5-methylthiophene-2-sulfonamide

C12H12ClNO3S2 — CID 110777954

IUPACN-(2-chloro-4-methoxyphenyl)-5-methylthiophene-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C)s2)c(Cl)c1
InChIInChI=1S/C12H12ClNO3S2/c1-8-3-6-12(18-8)19(15,16)14-11-5-4-9(17-2)7-10(11)13/h3-7,14H,1-2H3
InChIKeyFQFSSKGFIRNUBF-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.52
Rot. Bonds4

About N-(2-chloro-4-methoxyphenyl)-5-methylthiophene-2-sulfonamide

N-(2-chloro-4-methoxyphenyl)-5-methylthiophene-2-sulfonamide (PubChem CID 110777954) has the molecular formula C12H12ClNO3S2 and a molecular weight of 317.82 g/mol. Its IUPAC name is N-(2-chloro-4-methoxyphenyl)-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-methoxyphenyl)-5-methylthiophene-2-sulfonamide
PubChem CID110777954
Molecular FormulaC12H12ClNO3S2
Molecular Weight317.82 g/mol
Exact Mass316.99
IUPAC NameN-(2-chloro-4-methoxyphenyl)-5-methylthiophene-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C)s2)c(Cl)c1
InChIInChI=1S/C12H12ClNO3S2/c1-8-3-6-12(18-8)19(15,16)14-11-5-4-9(17-2)7-10(11)13/h3-7,14H,1-2H3
InChIKeyFQFSSKGFIRNUBF-UHFFFAOYSA-N
XLogP3.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethoxyphenyl)-5-methylthiophene-2-sulfonamide
CID 18191077
4-chloro-N-(2-chloro-4-methoxyphenyl)benzenesulfonamide
CID 4994976
N-(2-chloro-4-methoxyphenyl)-3-methylbenzenesulfonamide
CID 110777955
N-(6-chloro-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide
CID 18125828
N-(4-amino-2-methylphenyl)-5-methylthiophene-2-sulfonamide
CID 28783297
N-(5-bromo-2-methoxyphenyl)-5-methylthiophene-2-sulfonamide
CID 47310946
N-[4-chloro-2-[(5-methylthiophen-2-yl)sulfonylamino]phenyl]acetamide
CID 86870275
N-(2-chloro-4-methoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 60597504
N-(4-bromo-2-chlorophenyl)-2,5-dimethoxybenzenesulfonamide
CID 7938341
4-[(2-chloro-4-methoxyphenyl)sulfamoyl]benzoic acid
CID 56821059
N-(3,5-dichlorophenyl)-5-methylthiophene-2-sulfonamide
CID 18191064
4-chloro-N-(4-methoxy-2-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 22202576

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methoxyphenyl)-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-(2-chloro-4-methoxyphenyl)-5-methylthiophene-2-sulfonamide (CID 110777954) is N-(2-chloro-4-methoxyphenyl)-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-(2-chloro-4-methoxyphenyl)-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-(2-chloro-4-methoxyphenyl)-5-methylthiophene-2-sulfonamide is COc1ccc(NS(=O)(=O)c2ccc(C)s2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methoxyphenyl)-5-methylthiophene-2-sulfonamide?
The InChIKey is FQFSSKGFIRNUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO3S2/c1-8-3-6-12(18-8)19(15,16)14-11-5-4-9(17-2)7-10(11)13/h3-7,14H,1-2H3.
What are the key properties of N-(2-chloro-4-methoxyphenyl)-5-methylthiophene-2-sulfonamide?
N-(2-chloro-4-methoxyphenyl)-5-methylthiophene-2-sulfonamide has a molecular weight of 317.82 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methoxyphenyl)-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 110777954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).