2-[(2-hydroxycyclohexyl)amino]-N-propylbenzenesulfonamide

C15H24N2O3S — CID 62359065

IUPAC2-[(2-hydroxycyclohexyl)amino]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccccc1NC1CCCCC1O
InChIInChI=1S/C15H24N2O3S/c1-2-11-16-21(19,20)15-10-6-4-8-13(15)17-12-7-3-5-9-14(12)18/h4,6,8,10,12,14,16-18H,2-3,5,7,9,11H2,1H3
InChIKeyDDAQFOCJLLHITQ-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.09
Rot. Bonds6

About 2-[(2-hydroxycyclohexyl)amino]-N-propylbenzenesulfonamide

2-[(2-hydroxycyclohexyl)amino]-N-propylbenzenesulfonamide (PubChem CID 62359065) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-[(2-hydroxycyclohexyl)amino]-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(2-hydroxycyclohexyl)amino]-N-propylbenzenesulfonamide
PubChem CID62359065
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2-[(2-hydroxycyclohexyl)amino]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccccc1NC1CCCCC1O
InChIInChI=1S/C15H24N2O3S/c1-2-11-16-21(19,20)15-10-6-4-8-13(15)17-12-7-3-5-9-14(12)18/h4,6,8,10,12,14,16-18H,2-3,5,7,9,11H2,1H3
InChIKeyDDAQFOCJLLHITQ-UHFFFAOYSA-N
XLogP2.09
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,2S)-2-(2-ethylanilino)cyclohexan-1-ol
CID 102730945
2-[(3-methylcyclohexyl)amino]-N-propylbenzenesulfonamide
CID 43454559
2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-propylbenzenesulfonamide
CID 80715326
2-(oxolan-3-ylamino)-N-propylbenzenesulfonamide
CID 80713071
2-[(1,1-dioxothiolan-3-yl)amino]-N-propylbenzenesulfonamide
CID 43454539
2-[2-(ethylsulfamoyl)anilino]cyclopentane-1-carboxylic acid
CID 64815678
N-(cyclohexylmethyl)-2-(propylamino)benzenesulfonamide
CID 62146052
N-ethyl-2-[(2-methylpiperidin-3-yl)amino]benzenesulfonamide
CID 114695395
N-ethyl-2-[(4-hydroxycyclohexyl)amino]benzenesulfonamide
CID 43454387
2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzenesulfonamide
CID 106362109
[2-(2-propylsulfonylanilino)cyclohexyl]methanol
CID 106362332
N-cyclohexyl-2-(propylamino)benzenesulfonamide
CID 62149807

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxycyclohexyl)amino]-N-propylbenzenesulfonamide?
The IUPAC name of 2-[(2-hydroxycyclohexyl)amino]-N-propylbenzenesulfonamide (CID 62359065) is 2-[(2-hydroxycyclohexyl)amino]-N-propylbenzenesulfonamide.
What is the SMILES notation for 2-[(2-hydroxycyclohexyl)amino]-N-propylbenzenesulfonamide?
The canonical SMILES for 2-[(2-hydroxycyclohexyl)amino]-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccccc1NC1CCCCC1O.
What is the InChIKey of 2-[(2-hydroxycyclohexyl)amino]-N-propylbenzenesulfonamide?
The InChIKey is DDAQFOCJLLHITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-2-11-16-21(19,20)15-10-6-4-8-13(15)17-12-7-3-5-9-14(12)18/h4,6,8,10,12,14,16-18H,2-3,5,7,9,11H2,1H3.
What are the key properties of 2-[(2-hydroxycyclohexyl)amino]-N-propylbenzenesulfonamide?
2-[(2-hydroxycyclohexyl)amino]-N-propylbenzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxycyclohexyl)amino]-N-propylbenzenesulfonamide is sourced from PubChem (CID 62359065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).