3-(3-amino-2-hydroxypropyl)-N-cyclohexylbenzenesulfonamide

C15H24N2O3S — CID 59280856

IUPAC3-(3-amino-2-hydroxypropyl)-N-cyclohexylbenzenesulfonamide
SMILESNCC(O)Cc1cccc(S(=O)(=O)NC2CCCCC2)c1
InChIInChI=1S/C15H24N2O3S/c16-11-14(18)9-12-5-4-8-15(10-12)21(19,20)17-13-6-2-1-3-7-13/h4-5,8,10,13-14,17-18H,1-3,6-7,9,11,16H2
InChIKeyTYEQLNGPXCCREE-UHFFFAOYSA-N
MW312.43 g/mol
LogP1.16
Rot. Bonds6

About 3-(3-amino-2-hydroxypropyl)-N-cyclohexylbenzenesulfonamide

3-(3-amino-2-hydroxypropyl)-N-cyclohexylbenzenesulfonamide (PubChem CID 59280856) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is 3-(3-amino-2-hydroxypropyl)-N-cyclohexylbenzenesulfonamide.

Molecular Properties

Compound Name3-(3-amino-2-hydroxypropyl)-N-cyclohexylbenzenesulfonamide
PubChem CID59280856
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC Name3-(3-amino-2-hydroxypropyl)-N-cyclohexylbenzenesulfonamide
SMILESNCC(O)Cc1cccc(S(=O)(=O)NC2CCCCC2)c1
InChIInChI=1S/C15H24N2O3S/c16-11-14(18)9-12-5-4-8-15(10-12)21(19,20)17-13-6-2-1-3-7-13/h4-5,8,10,13-14,17-18H,1-3,6-7,9,11,16H2
InChIKeyTYEQLNGPXCCREE-UHFFFAOYSA-N
XLogP1.16
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-bromo-1-hydroxyethyl)-N-cyclohexylbenzenesulfonamide
CID 67130398
N-cyclopentyl-3-(propan-2-yloxymethyl)benzenesulfonamide
CID 71691365
4-(aminomethyl)-N-cyclohexylbenzenesulfonamide
CID 16781327
3-(1-aminoethyl)-N-cyclopentylbenzenesulfonamide
CID 43101815
N-cyclohexyl-3-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzenesulfonamide
CID 158174529
3-(cycloheptylsulfamoyl)benzenecarbothioamide
CID 43346188
N-cyclooctyl-3-fluorobenzenesulfonamide
CID 26948335
N-cyclooctyl-3-methylbenzenesulfonamide
CID 2497018
N-cyclohexyl-3-methylsulfonylbenzenesulfonamide
CID 6462647
N-cyclopropyl-3-ethylbenzenesulfonamide
CID 70914015
3-(cyclopentylsulfamoyl)benzenecarbothioamide
CID 24690582
N-(1-amino-4-methylpentan-2-yl)-3-(cyclopentylsulfamoyl)benzamide
CID 119585530

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-2-hydroxypropyl)-N-cyclohexylbenzenesulfonamide?
The IUPAC name of 3-(3-amino-2-hydroxypropyl)-N-cyclohexylbenzenesulfonamide (CID 59280856) is 3-(3-amino-2-hydroxypropyl)-N-cyclohexylbenzenesulfonamide.
What is the SMILES notation for 3-(3-amino-2-hydroxypropyl)-N-cyclohexylbenzenesulfonamide?
The canonical SMILES for 3-(3-amino-2-hydroxypropyl)-N-cyclohexylbenzenesulfonamide is NCC(O)Cc1cccc(S(=O)(=O)NC2CCCCC2)c1.
What is the InChIKey of 3-(3-amino-2-hydroxypropyl)-N-cyclohexylbenzenesulfonamide?
The InChIKey is TYEQLNGPXCCREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c16-11-14(18)9-12-5-4-8-15(10-12)21(19,20)17-13-6-2-1-3-7-13/h4-5,8,10,13-14,17-18H,1-3,6-7,9,11,16H2.
What are the key properties of 3-(3-amino-2-hydroxypropyl)-N-cyclohexylbenzenesulfonamide?
3-(3-amino-2-hydroxypropyl)-N-cyclohexylbenzenesulfonamide has a molecular weight of 312.43 g/mol, XLogP of 1.16, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-2-hydroxypropyl)-N-cyclohexylbenzenesulfonamide is sourced from PubChem (CID 59280856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).