N-(2-hydroxypropyl)-4-propylbenzenesulfonamide

C12H19NO3S — CID 3391675

IUPACN-(2-hydroxypropyl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCC(C)O)cc1
InChIInChI=1S/C12H19NO3S/c1-3-4-11-5-7-12(8-6-11)17(15,16)13-9-10(2)14/h5-8,10,13-14H,3-4,9H2,1-2H3
InChIKeyYSNZNMHFLNHAGH-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.30
Rot. Bonds6

About N-(2-hydroxypropyl)-4-propylbenzenesulfonamide

N-(2-hydroxypropyl)-4-propylbenzenesulfonamide (PubChem CID 3391675) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-4-propylbenzenesulfonamide
PubChem CID3391675
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC NameN-(2-hydroxypropyl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCC(C)O)cc1
InChIInChI=1S/C12H19NO3S/c1-3-4-11-5-7-12(8-6-11)17(15,16)13-9-10(2)14/h5-8,10,13-14H,3-4,9H2,1-2H3
InChIKeyYSNZNMHFLNHAGH-UHFFFAOYSA-N
XLogP1.30
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hexyl-N-(2-hydroxypropyl)benzenesulfonamide
CID 84558138
N-[2-(2-hydroxypropylamino)ethyl]-4-propylbenzenesulfonamide
CID 104594124
4-(bromomethyl)-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 107858958
N-(2-ethylbutyl)-4-propylbenzenesulfonamide
CID 115613302
4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43394414
4-butanoyl-N-(2-hydroxypropyl)benzenesulfonamide
CID 82164615
N-(2-methylprop-2-enyl)-4-propylbenzenesulfonamide
CID 114616423
N-(3-aminobutyl)-4-propylbenzenesulfonamide;hydrochloride
CID 119972319
N-iodo-4-propylbenzenesulfonamide
CID 143564822
2-[(4-propylphenyl)sulfonylamino]ethanethioamide
CID 61127492
4-butyl-N-(2-hydroxy-2-phenylethyl)benzenesulfonamide
CID 3691488
N-(3-cyclopropyl-3-hydroxypropyl)-4-propylbenzenesulfonamide
CID 71787498

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-4-propylbenzenesulfonamide?
The IUPAC name of N-(2-hydroxypropyl)-4-propylbenzenesulfonamide (CID 3391675) is N-(2-hydroxypropyl)-4-propylbenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxypropyl)-4-propylbenzenesulfonamide?
The canonical SMILES for N-(2-hydroxypropyl)-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)NCC(C)O)cc1.
What is the InChIKey of N-(2-hydroxypropyl)-4-propylbenzenesulfonamide?
The InChIKey is YSNZNMHFLNHAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-3-4-11-5-7-12(8-6-11)17(15,16)13-9-10(2)14/h5-8,10,13-14H,3-4,9H2,1-2H3.
What are the key properties of N-(2-hydroxypropyl)-4-propylbenzenesulfonamide?
N-(2-hydroxypropyl)-4-propylbenzenesulfonamide has a molecular weight of 257.35 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-4-propylbenzenesulfonamide is sourced from PubChem (CID 3391675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).