3-(1-hydroxyethyl)-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide

C14H17NO3S2 — CID 62057681

IUPAC3-(1-hydroxyethyl)-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2cccc(C(C)O)c2)s1
InChIInChI=1S/C14H17NO3S2/c1-10-6-7-13(19-10)9-15-20(17,18)14-5-3-4-12(8-14)11(2)16/h3-8,11,15-16H,9H2,1-2H3
InChIKeyONCGSDHLICVSDI-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.59
Rot. Bonds5

About 3-(1-hydroxyethyl)-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide

3-(1-hydroxyethyl)-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide (PubChem CID 62057681) has the molecular formula C14H17NO3S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-(1-hydroxyethyl)-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(1-hydroxyethyl)-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide
PubChem CID62057681
Molecular FormulaC14H17NO3S2
Molecular Weight311.43 g/mol
Exact Mass311.06
IUPAC Name3-(1-hydroxyethyl)-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2cccc(C(C)O)c2)s1
InChIInChI=1S/C14H17NO3S2/c1-10-6-7-13(19-10)9-15-20(17,18)14-5-3-4-12(8-14)11(2)16/h3-8,11,15-16H,9H2,1-2H3
InChIKeyONCGSDHLICVSDI-UHFFFAOYSA-N
XLogP2.59
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-methylthiophen-2-yl)methylsulfamoyl]benzoic acid
CID 61072894
3-[1-[(5-methylthiophen-2-yl)methylamino]ethyl]benzenesulfonamide
CID 62055705
3-(1-hydroxyethyl)-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106341917
3-(1-hydroxyethyl)-N-pentylbenzenesulfonamide
CID 43507340
N-[(4,5-dimethylthiophen-2-yl)methyl]-4-(1-hydroxyethyl)benzenesulfonamide
CID 65245455
3-(1-hydroxyethyl)-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63960305
3-acetyl-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzenesulfonamide
CID 73167918
4-[(5-methylthiophen-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 61072744
4-cyano-3-methyl-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 106833079
3-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzenesulfonamide
CID 81258877
3-(1-hydroxyethyl)-N-(1-phenylethyl)benzenesulfonamide
CID 43507304
3-(1-hydroxyethyl)-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
CID 80743981

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxyethyl)-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-(1-hydroxyethyl)-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide (CID 62057681) is 3-(1-hydroxyethyl)-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-(1-hydroxyethyl)-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-(1-hydroxyethyl)-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide is Cc1ccc(CNS(=O)(=O)c2cccc(C(C)O)c2)s1.
What is the InChIKey of 3-(1-hydroxyethyl)-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide?
The InChIKey is ONCGSDHLICVSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S2/c1-10-6-7-13(19-10)9-15-20(17,18)14-5-3-4-12(8-14)11(2)16/h3-8,11,15-16H,9H2,1-2H3.
What are the key properties of 3-(1-hydroxyethyl)-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide?
3-(1-hydroxyethyl)-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide has a molecular weight of 311.43 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxyethyl)-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 62057681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).