N-[3-(1-hydroxypropyl)phenyl]benzenesulfonamide

C15H17NO3S — CID 174636480

IUPACN-[3-(1-hydroxypropyl)phenyl]benzenesulfonamide
SMILESCCC(O)c1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C15H17NO3S/c1-2-15(17)12-7-6-8-13(11-12)16-20(18,19)14-9-4-3-5-10-14/h3-11,15-17H,2H2,1H3
InChIKeyLYBKXYBBZBAFHA-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.93
Rot. Bonds5

About N-[3-(1-hydroxypropyl)phenyl]benzenesulfonamide

N-[3-(1-hydroxypropyl)phenyl]benzenesulfonamide (PubChem CID 174636480) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is N-[3-(1-hydroxypropyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(1-hydroxypropyl)phenyl]benzenesulfonamide
PubChem CID174636480
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC NameN-[3-(1-hydroxypropyl)phenyl]benzenesulfonamide
SMILESCCC(O)c1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C15H17NO3S/c1-2-15(17)12-7-6-8-13(11-12)16-20(18,19)14-9-4-3-5-10-14/h3-11,15-17H,2H2,1H3
InChIKeyLYBKXYBBZBAFHA-UHFFFAOYSA-N
XLogP2.93
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-amino-1-hydroxyethyl)phenyl]-4-methylbenzenesulfonamide
CID 25046021
3-ethyl-N-[3-(1-hydroxy-2-methoxyethyl)phenyl]benzenesulfonamide
CID 126815984
3-(1-hydroxypropyl)-N-pentan-3-ylbenzenesulfonamide
CID 60874171
3-(benzenesulfonamido)-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]benzamide
CID 18928950
N-[3-[2-hydroxy-1-(methylamino)ethyl]phenyl]-4-phenylbenzenesulfonamide
CID 67358765
N-(3-propylphenyl)benzenesulfonamide
CID 71064838
3-[1-(ethylamino)ethyl]-N-phenylbenzenesulfonamide
CID 43506659
N-(5-chloro-2-pyridinyl)-3-(1-hydroxypropyl)benzenesulfonamide
CID 60874543
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1-hydroxypropyl)benzenesulfonamide
CID 107642763
2-[[3-(benzenesulfonamido)benzoyl]amino]-3-methylpentanoic acid
CID 119211489
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-hydroxypropyl)benzenesulfonamide
CID 61466425
3-(1-hydroxypropyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 60874194

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-hydroxypropyl)phenyl]benzenesulfonamide?
The IUPAC name of N-[3-(1-hydroxypropyl)phenyl]benzenesulfonamide (CID 174636480) is N-[3-(1-hydroxypropyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-(1-hydroxypropyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[3-(1-hydroxypropyl)phenyl]benzenesulfonamide is CCC(O)c1cccc(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-(1-hydroxypropyl)phenyl]benzenesulfonamide?
The InChIKey is LYBKXYBBZBAFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-2-15(17)12-7-6-8-13(11-12)16-20(18,19)14-9-4-3-5-10-14/h3-11,15-17H,2H2,1H3.
What are the key properties of N-[3-(1-hydroxypropyl)phenyl]benzenesulfonamide?
N-[3-(1-hydroxypropyl)phenyl]benzenesulfonamide has a molecular weight of 291.37 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-hydroxypropyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 174636480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).