N-(2-hydroxypropyl)benzenesulfonamide

C9H13NO3S — CID 3015760

IUPACN-(2-hydroxypropyl)benzenesulfonamide
SMILESCC(O)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C9H13NO3S/c1-8(11)7-10-14(12,13)9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3
InChIKeyDHRXPBUFQGUINE-UHFFFAOYSA-N
MW215.27 g/mol
LogP0.35
Rot. Bonds4

About N-(2-hydroxypropyl)benzenesulfonamide

N-(2-hydroxypropyl)benzenesulfonamide (PubChem CID 3015760) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is N-(2-hydroxypropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)benzenesulfonamide
PubChem CID3015760
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC NameN-(2-hydroxypropyl)benzenesulfonamide
SMILESCC(O)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C9H13NO3S/c1-8(11)7-10-14(12,13)9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3
InChIKeyDHRXPBUFQGUINE-UHFFFAOYSA-N
XLogP0.35
TPSA66.40 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 ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)benzenesulfonamide?
The IUPAC name of N-(2-hydroxypropyl)benzenesulfonamide (CID 3015760) is N-(2-hydroxypropyl)benzenesulfonamide.
What is the SMILES notation for N-(2-hydroxypropyl)benzenesulfonamide?
The canonical SMILES for N-(2-hydroxypropyl)benzenesulfonamide is CC(O)CNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(2-hydroxypropyl)benzenesulfonamide?
The InChIKey is DHRXPBUFQGUINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-8(11)7-10-14(12,13)9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3.
What are the key properties of N-(2-hydroxypropyl)benzenesulfonamide?
N-(2-hydroxypropyl)benzenesulfonamide has a molecular weight of 215.27 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)benzenesulfonamide is sourced from PubChem (CID 3015760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).