3-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzenesulfonamide

C14H17NO3S2 — CID 81258877

IUPAC3-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzenesulfonamide
SMILESCc1ccc(CC(C)NS(=O)(=O)c2cccc(O)c2)s1
InChIInChI=1S/C14H17NO3S2/c1-10(8-13-7-6-11(2)19-13)15-20(17,18)14-5-3-4-12(16)9-14/h3-7,9-10,15-16H,8H2,1-2H3
InChIKeyQTGGPBYOSZRDOU-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.67
Rot. Bonds5

About 3-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzenesulfonamide

3-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzenesulfonamide (PubChem CID 81258877) has the molecular formula C14H17NO3S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzenesulfonamide
PubChem CID81258877
Molecular FormulaC14H17NO3S2
Molecular Weight311.43 g/mol
Exact Mass311.06
IUPAC Name3-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzenesulfonamide
SMILESCc1ccc(CC(C)NS(=O)(=O)c2cccc(O)c2)s1
InChIInChI=1S/C14H17NO3S2/c1-10(8-13-7-6-11(2)19-13)15-20(17,18)14-5-3-4-12(16)9-14/h3-7,9-10,15-16H,8H2,1-2H3
InChIKeyQTGGPBYOSZRDOU-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(furan-2-yl)propan-2-yl]-3-hydroxybenzenesulfonamide
CID 81258780
N-[1-(4-fluorophenyl)propan-2-yl]-3-hydroxybenzenesulfonamide
CID 81265120
5-(aminomethyl)-1-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrrole-3-sulfonamide
CID 106068979
5-bromo-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]thiophene-2-sulfonamide
CID 79995810
3-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propane-1-sulfonamide
CID 114135134
3-hydroxy-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 81259142
3-(1-hydroxyethyl)-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 62057681
3-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 81258377
3-hydroxy-N-methylbenzenesulfonamide
CID 20621554
2-fluoro-4-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide
CID 103941360
N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-(propylamino)ethanesulfonamide
CID 106069012
3-[(5-methylthiophen-2-yl)methylsulfamoyl]benzoic acid
CID 61072894

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzenesulfonamide?
The IUPAC name of 3-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzenesulfonamide (CID 81258877) is 3-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzenesulfonamide?
The canonical SMILES for 3-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzenesulfonamide is Cc1ccc(CC(C)NS(=O)(=O)c2cccc(O)c2)s1.
What is the InChIKey of 3-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzenesulfonamide?
The InChIKey is QTGGPBYOSZRDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S2/c1-10(8-13-7-6-11(2)19-13)15-20(17,18)14-5-3-4-12(16)9-14/h3-7,9-10,15-16H,8H2,1-2H3.
What are the key properties of 3-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzenesulfonamide?
3-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzenesulfonamide has a molecular weight of 311.43 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 81258877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).