5-chloro-N-[3-(1-hydroxyethyl)phenyl]-4-methylthiophene-2-sulfonamide

C13H14ClNO3S2 — CID 103100292

IUPAC5-chloro-N-[3-(1-hydroxyethyl)phenyl]-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cccc(C(C)O)c2)sc1Cl
InChIInChI=1S/C13H14ClNO3S2/c1-8-6-12(19-13(8)14)20(17,18)15-11-5-3-4-10(7-11)9(2)16/h3-7,9,15-16H,1-2H3
InChIKeyOXVYBNKMZHYRBK-UHFFFAOYSA-N
MW331.85 g/mol
LogP3.56
Rot. Bonds4

About 5-chloro-N-[3-(1-hydroxyethyl)phenyl]-4-methylthiophene-2-sulfonamide

5-chloro-N-[3-(1-hydroxyethyl)phenyl]-4-methylthiophene-2-sulfonamide (PubChem CID 103100292) has the molecular formula C13H14ClNO3S2 and a molecular weight of 331.85 g/mol. Its IUPAC name is 5-chloro-N-[3-(1-hydroxyethyl)phenyl]-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[3-(1-hydroxyethyl)phenyl]-4-methylthiophene-2-sulfonamide
PubChem CID103100292
Molecular FormulaC13H14ClNO3S2
Molecular Weight331.85 g/mol
Exact Mass331.01
IUPAC Name5-chloro-N-[3-(1-hydroxyethyl)phenyl]-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cccc(C(C)O)c2)sc1Cl
InChIInChI=1S/C13H14ClNO3S2/c1-8-6-12(19-13(8)14)20(17,18)15-11-5-3-4-10(7-11)9(2)16/h3-7,9,15-16H,1-2H3
InChIKeyOXVYBNKMZHYRBK-UHFFFAOYSA-N
XLogP3.56
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminophenyl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 103099480
5-chloro-N-[3-(ethylaminomethyl)phenyl]-4-methylthiophene-2-sulfonamide
CID 103100364
N-[3-(1-hydroxyethyl)phenyl]-2,4-dimethylbenzenesulfonamide
CID 43508604
4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-2-methylbenzoic acid
CID 103099684
N-(4-aminophenyl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 103099477
5-fluoro-N-[3-(1-hydroxyethyl)phenyl]-2-methylbenzenesulfonamide
CID 43508629
4-fluoro-N-[3-(1-hydroxyethyl)phenyl]-2-methylbenzenesulfonamide
CID 43508631
1-(1-hydroxyethyl)-3-(sulfamoylamino)benzene
CID 114959286
5-chloro-N-(3-ethyl-2-hydroxypentyl)-4-methylthiophene-2-sulfonamide
CID 103270087
2,5-difluoro-N-[3-(1-hydroxyethyl)phenyl]benzenesulfonamide
CID 43508632
5-chloro-N-(3-hydroxybutyl)-4-methylthiophene-2-sulfonamide
CID 103100218
N-(2-bromo-1-phenylethyl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 103100783

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(1-hydroxyethyl)phenyl]-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[3-(1-hydroxyethyl)phenyl]-4-methylthiophene-2-sulfonamide (CID 103100292) is 5-chloro-N-[3-(1-hydroxyethyl)phenyl]-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[3-(1-hydroxyethyl)phenyl]-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[3-(1-hydroxyethyl)phenyl]-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)Nc2cccc(C(C)O)c2)sc1Cl.
What is the InChIKey of 5-chloro-N-[3-(1-hydroxyethyl)phenyl]-4-methylthiophene-2-sulfonamide?
The InChIKey is OXVYBNKMZHYRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO3S2/c1-8-6-12(19-13(8)14)20(17,18)15-11-5-3-4-10(7-11)9(2)16/h3-7,9,15-16H,1-2H3.
What are the key properties of 5-chloro-N-[3-(1-hydroxyethyl)phenyl]-4-methylthiophene-2-sulfonamide?
5-chloro-N-[3-(1-hydroxyethyl)phenyl]-4-methylthiophene-2-sulfonamide has a molecular weight of 331.85 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(1-hydroxyethyl)phenyl]-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 103100292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).