N-(3-cyclopropyl-3-hydroxypropyl)-4-propylbenzenesulfonamide

C15H23NO3S — CID 71787498

IUPACN-(3-cyclopropyl-3-hydroxypropyl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCCC(O)C2CC2)cc1
InChIInChI=1S/C15H23NO3S/c1-2-3-12-4-8-14(9-5-12)20(18,19)16-11-10-15(17)13-6-7-13/h4-5,8-9,13,15-17H,2-3,6-7,10-11H2,1H3
InChIKeyIFQBZXCKSWNZKE-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.08
Rot. Bonds8

About N-(3-cyclopropyl-3-hydroxypropyl)-4-propylbenzenesulfonamide

N-(3-cyclopropyl-3-hydroxypropyl)-4-propylbenzenesulfonamide (PubChem CID 71787498) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-(3-cyclopropyl-3-hydroxypropyl)-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-cyclopropyl-3-hydroxypropyl)-4-propylbenzenesulfonamide
PubChem CID71787498
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN-(3-cyclopropyl-3-hydroxypropyl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCCC(O)C2CC2)cc1
InChIInChI=1S/C15H23NO3S/c1-2-3-12-4-8-14(9-5-12)20(18,19)16-11-10-15(17)13-6-7-13/h4-5,8-9,13,15-17H,2-3,6-7,10-11H2,1H3
InChIKeyIFQBZXCKSWNZKE-UHFFFAOYSA-N
XLogP2.08
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminobutyl)-4-propylbenzenesulfonamide;hydrochloride
CID 119972319
N-[2-(2-hydroxypropylamino)ethyl]-4-propylbenzenesulfonamide
CID 104594124
N-(2-hydroxypropyl)-4-propylbenzenesulfonamide
CID 3391675
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-4-propylbenzenesulfonamide
CID 90524520
4-[4-(2-cyclopropyl-2-hydroxyethyl)phenyl]-N-(2-hydroxyethyl)benzenesulfonamide
CID 154842320
N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-4-(trifluoromethyl)benzenesulfonamide
CID 99996999
4-propyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716159
N-(3-aminopropyl)-4-propylbenzenesulfonamide
CID 43605819
4-propyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723443
N-(2-ethylbutyl)-4-propylbenzenesulfonamide
CID 115613302
2-cyclopropyl-N-[2-[4-(ethylsulfamoyl)phenyl]ethyl]-2-phenylacetamide
CID 110624148
4-(2,5-dioxopyrrolidin-1-yl)-N-[3-hydroxy-3-(oxan-4-yl)propyl]benzenesulfonamide
CID 86266685

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-3-hydroxypropyl)-4-propylbenzenesulfonamide?
The IUPAC name of N-(3-cyclopropyl-3-hydroxypropyl)-4-propylbenzenesulfonamide (CID 71787498) is N-(3-cyclopropyl-3-hydroxypropyl)-4-propylbenzenesulfonamide.
What is the SMILES notation for N-(3-cyclopropyl-3-hydroxypropyl)-4-propylbenzenesulfonamide?
The canonical SMILES for N-(3-cyclopropyl-3-hydroxypropyl)-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)NCCC(O)C2CC2)cc1.
What is the InChIKey of N-(3-cyclopropyl-3-hydroxypropyl)-4-propylbenzenesulfonamide?
The InChIKey is IFQBZXCKSWNZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-2-3-12-4-8-14(9-5-12)20(18,19)16-11-10-15(17)13-6-7-13/h4-5,8-9,13,15-17H,2-3,6-7,10-11H2,1H3.
What are the key properties of N-(3-cyclopropyl-3-hydroxypropyl)-4-propylbenzenesulfonamide?
N-(3-cyclopropyl-3-hydroxypropyl)-4-propylbenzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-3-hydroxypropyl)-4-propylbenzenesulfonamide is sourced from PubChem (CID 71787498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).