5-chloro-N-(4-hydroxyphenyl)-N,4-dimethylthiophene-2-sulfonamide

C12H12ClNO3S2 — CID 103100118

IUPAC5-chloro-N-(4-hydroxyphenyl)-N,4-dimethylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)N(C)c2ccc(O)cc2)sc1Cl
InChIInChI=1S/C12H12ClNO3S2/c1-8-7-11(18-12(8)13)19(16,17)14(2)9-3-5-10(15)6-4-9/h3-7,15H,1-2H3
InChIKeyFLQIOTFKMWDWMF-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.24
Rot. Bonds3

About 5-chloro-N-(4-hydroxyphenyl)-N,4-dimethylthiophene-2-sulfonamide

5-chloro-N-(4-hydroxyphenyl)-N,4-dimethylthiophene-2-sulfonamide (PubChem CID 103100118) has the molecular formula C12H12ClNO3S2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 5-chloro-N-(4-hydroxyphenyl)-N,4-dimethylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(4-hydroxyphenyl)-N,4-dimethylthiophene-2-sulfonamide
PubChem CID103100118
Molecular FormulaC12H12ClNO3S2
Molecular Weight317.82 g/mol
Exact Mass316.99
IUPAC Name5-chloro-N-(4-hydroxyphenyl)-N,4-dimethylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)N(C)c2ccc(O)cc2)sc1Cl
InChIInChI=1S/C12H12ClNO3S2/c1-8-7-11(18-12(8)13)19(16,17)14(2)9-3-5-10(15)6-4-9/h3-7,15H,1-2H3
InChIKeyFLQIOTFKMWDWMF-UHFFFAOYSA-N
XLogP3.24
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxyphenyl)-N-methylthiophene-2-sulfonamide
CID 2497434
5-chloro-N-(3-fluoro-4-hydroxyphenyl)thiophene-2-sulfonamide
CID 64781848
5-chloro-N-(2-fluoro-4-hydroxyphenyl)thiophene-2-sulfonamide
CID 64786901
5-chloro-N-(4-fluoro-2-hydroxyphenyl)-4-methylthiophene-2-sulfonamide
CID 103100133
5-chloro-N-(3-fluoro-4-hydroxyphenyl)-4-methylthiophene-2-sulfonamide
CID 103100135
5-chloro-N-(5-fluoro-2-hydroxyphenyl)-4-methylthiophene-2-sulfonamide
CID 103100138
5-chloro-N-(2-fluoro-4-hydroxyphenyl)-4-methylthiophene-2-sulfonamide
CID 103100139
2,5-dichloro-N-(3-hydroxyphenyl)-N-methylthiophene-3-sulfonamide
CID 53623298
5-chloro-N-(4-hydroxyphenyl)thiophene-2-sulfonamide
CID 3838234
6-Chloro-2-(4-methoxyphenyl)-2H-thieno[3,2-e]-1,2-thiazine 1,1-dioxide
CID 19434000
4-[(4-hydroxy-N-methylanilino)methyl]thiophene-2-sulfonamide
CID 70357631
4,5-dichloro-N-(4-hydroxyphenyl)thiophene-2-sulfonamide
CID 144081478

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-hydroxyphenyl)-N,4-dimethylthiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(4-hydroxyphenyl)-N,4-dimethylthiophene-2-sulfonamide (CID 103100118) is 5-chloro-N-(4-hydroxyphenyl)-N,4-dimethylthiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(4-hydroxyphenyl)-N,4-dimethylthiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(4-hydroxyphenyl)-N,4-dimethylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)N(C)c2ccc(O)cc2)sc1Cl.
What is the InChIKey of 5-chloro-N-(4-hydroxyphenyl)-N,4-dimethylthiophene-2-sulfonamide?
The InChIKey is FLQIOTFKMWDWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO3S2/c1-8-7-11(18-12(8)13)19(16,17)14(2)9-3-5-10(15)6-4-9/h3-7,15H,1-2H3.
What are the key properties of 5-chloro-N-(4-hydroxyphenyl)-N,4-dimethylthiophene-2-sulfonamide?
5-chloro-N-(4-hydroxyphenyl)-N,4-dimethylthiophene-2-sulfonamide has a molecular weight of 317.82 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-hydroxyphenyl)-N,4-dimethylthiophene-2-sulfonamide is sourced from PubChem (CID 103100118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).