N-(4-aminocyclohexyl)-3-methylsulfonylbenzamide;hydrochloride

C14H21ClN2O3S — CID 119478074

IUPACN-(4-aminocyclohexyl)-3-methylsulfonylbenzamide;hydrochloride
SMILESCS(=O)(=O)c1cccc(C(=O)NC2CCC(N)CC2)c1.Cl
InChIInChI=1S/C14H20N2O3S.ClH/c1-20(18,19)13-4-2-3-10(9-13)14(17)16-12-7-5-11(15)6-8-12;/h2-4,9,11-12H,5-8,15H2,1H3,(H,16,17);1H
InChIKeyYOMLRLCAJSBFPX-UHFFFAOYSA-N
MW332.85 g/mol
LogP1.51
Rot. Bonds3

About N-(4-aminocyclohexyl)-3-methylsulfonylbenzamide;hydrochloride

N-(4-aminocyclohexyl)-3-methylsulfonylbenzamide;hydrochloride (PubChem CID 119478074) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-methylsulfonylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-methylsulfonylbenzamide;hydrochloride
PubChem CID119478074
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC NameN-(4-aminocyclohexyl)-3-methylsulfonylbenzamide;hydrochloride
SMILESCS(=O)(=O)c1cccc(C(=O)NC2CCC(N)CC2)c1.Cl
InChIInChI=1S/C14H20N2O3S.ClH/c1-20(18,19)13-4-2-3-10(9-13)14(17)16-12-7-5-11(15)6-8-12;/h2-4,9,11-12H,5-8,15H2,1H3,(H,16,17);1H
InChIKeyYOMLRLCAJSBFPX-UHFFFAOYSA-N
XLogP1.51
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-methylsulfonylbenzamide
CID 18105935
N-(4-aminocyclohexyl)-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
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CID 66186520
N-(4-aminocyclohexyl)-3-benzylsulfonylbenzamide
CID 119476656
N-(4-aminocyclohexyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 119474947
N-cyclopropyl-3-(methylsulfamoyl)benzamide
CID 35743549
N-(4-aminocyclohexyl)-3-bromobenzamide;hydrochloride
CID 86277418
N-(4-aminocyclohexyl)-3-iodobenzamide;hydrochloride
CID 119474943
3-methylsulfonyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428145
N-(4-aminocyclohexyl)-3-(trifluoromethyl)benzamide;hydrochloride
CID 119478233
N-(4-aminocyclohexyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 119476348
N-[(3-aminocyclobutyl)methyl]-3-methylsulfonylbenzamide
CID 66006871

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-methylsulfonylbenzamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-3-methylsulfonylbenzamide;hydrochloride (CID 119478074) is N-(4-aminocyclohexyl)-3-methylsulfonylbenzamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-methylsulfonylbenzamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-3-methylsulfonylbenzamide;hydrochloride is CS(=O)(=O)c1cccc(C(=O)NC2CCC(N)CC2)c1.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-3-methylsulfonylbenzamide;hydrochloride?
The InChIKey is YOMLRLCAJSBFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S.ClH/c1-20(18,19)13-4-2-3-10(9-13)14(17)16-12-7-5-11(15)6-8-12;/h2-4,9,11-12H,5-8,15H2,1H3,(H,16,17);1H.
What are the key properties of N-(4-aminocyclohexyl)-3-methylsulfonylbenzamide;hydrochloride?
N-(4-aminocyclohexyl)-3-methylsulfonylbenzamide;hydrochloride has a molecular weight of 332.85 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-methylsulfonylbenzamide;hydrochloride is sourced from PubChem (CID 119478074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).