4-(3-hydroxypropyl)benzenesulfonamide

C9H13NO3S — CID 15707360

IUPAC4-(3-hydroxypropyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCCO)cc1
InChIInChI=1S/C9H13NO3S/c10-14(12,13)9-5-3-8(4-6-9)2-1-7-11/h3-6,11H,1-2,7H2,(H2,10,12,13)
InChIKeyNSNHWGDFYDLMBS-UHFFFAOYSA-N
MW215.27 g/mol
LogP0.26
Rot. Bonds4

About 4-(3-hydroxypropyl)benzenesulfonamide

4-(3-hydroxypropyl)benzenesulfonamide (PubChem CID 15707360) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is 4-(3-hydroxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-hydroxypropyl)benzenesulfonamide
PubChem CID15707360
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name4-(3-hydroxypropyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCCO)cc1
InChIInChI=1S/C9H13NO3S/c10-14(12,13)9-5-3-8(4-6-9)2-1-7-11/h3-6,11H,1-2,7H2,(H2,10,12,13)
InChIKeyNSNHWGDFYDLMBS-UHFFFAOYSA-N
XLogP0.26
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxypropyl)benzenesulfonamide?
The IUPAC name of 4-(3-hydroxypropyl)benzenesulfonamide (CID 15707360) is 4-(3-hydroxypropyl)benzenesulfonamide.
What is the SMILES notation for 4-(3-hydroxypropyl)benzenesulfonamide?
The canonical SMILES for 4-(3-hydroxypropyl)benzenesulfonamide is NS(=O)(=O)c1ccc(CCCO)cc1.
What is the InChIKey of 4-(3-hydroxypropyl)benzenesulfonamide?
The InChIKey is NSNHWGDFYDLMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c10-14(12,13)9-5-3-8(4-6-9)2-1-7-11/h3-6,11H,1-2,7H2,(H2,10,12,13).
What are the key properties of 4-(3-hydroxypropyl)benzenesulfonamide?
4-(3-hydroxypropyl)benzenesulfonamide has a molecular weight of 215.27 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxypropyl)benzenesulfonamide is sourced from PubChem (CID 15707360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).