N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-sulfonamide

C12H12ClNO3S2 — CID 8523500

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-sulfonamide
SMILESCOc1cc(Cl)c(C)cc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C12H12ClNO3S2/c1-8-6-10(11(17-2)7-9(8)13)14-19(15,16)12-4-3-5-18-12/h3-7,14H,1-2H3
InChIKeyZIZDDZKMZPZTJM-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.52
Rot. Bonds4

About N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-sulfonamide

N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-sulfonamide (PubChem CID 8523500) has the molecular formula C12H12ClNO3S2 and a molecular weight of 317.82 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-sulfonamide
PubChem CID8523500
Molecular FormulaC12H12ClNO3S2
Molecular Weight317.82 g/mol
Exact Mass316.99
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-sulfonamide
SMILESCOc1cc(Cl)c(C)cc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C12H12ClNO3S2/c1-8-6-10(11(17-2)7-9(8)13)14-19(15,16)12-4-3-5-18-12/h3-7,14H,1-2H3
InChIKeyZIZDDZKMZPZTJM-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-(4-chloro-2-methoxy-5-methylphenyl)-3-(thiophen-2-ylsulfonylamino)propanamide
CID 36749120
5-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylthiophene-2-sulfonamide
CID 79998350
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide
CID 23099783
2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-thiazole-5-sulfonamide
CID 43427486
4-methoxy-3-(thiophen-2-ylsulfonylamino)benzenesulfonyl chloride
CID 16771255
N-[4,5-dichloro-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970163
N-[4,5-dichloro-2-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970049
4-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide
CID 60641377
N-[4,5-dichloro-2-[(2,4-dimethoxyphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 57382707
N-(4-chloro-2-methoxy-5-methylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 30156649
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 24680298
N-(2-methoxy-3,5-dimethylphenyl)thiophene-2-sulfonamide
CID 110777538

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-sulfonamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-sulfonamide (CID 8523500) is N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-sulfonamide is COc1cc(Cl)c(C)cc1NS(=O)(=O)c1cccs1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-sulfonamide?
The InChIKey is ZIZDDZKMZPZTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO3S2/c1-8-6-10(11(17-2)7-9(8)13)14-19(15,16)12-4-3-5-18-12/h3-7,14H,1-2H3.
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-sulfonamide?
N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-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-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 8523500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).