N-(4-aminocyclohexyl)-3-benzylsulfonylbenzamide

C20H24N2O3S — CID 119476656

IUPACN-(4-aminocyclohexyl)-3-benzylsulfonylbenzamide
SMILESNC1CCC(NC(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)CC1
InChIInChI=1S/C20H24N2O3S/c21-17-9-11-18(12-10-17)22-20(23)16-7-4-8-19(13-16)26(24,25)14-15-5-2-1-3-6-15/h1-8,13,17-18H,9-12,14,21H2,(H,22,23)
InChIKeyXXBWZKRLWSEKAL-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.66
Rot. Bonds5

About N-(4-aminocyclohexyl)-3-benzylsulfonylbenzamide

N-(4-aminocyclohexyl)-3-benzylsulfonylbenzamide (PubChem CID 119476656) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-benzylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-benzylsulfonylbenzamide
PubChem CID119476656
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-(4-aminocyclohexyl)-3-benzylsulfonylbenzamide
SMILESNC1CCC(NC(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)CC1
InChIInChI=1S/C20H24N2O3S/c21-17-9-11-18(12-10-17)22-20(23)16-7-4-8-19(13-16)26(24,25)14-15-5-2-1-3-6-15/h1-8,13,17-18H,9-12,14,21H2,(H,22,23)
InChIKeyXXBWZKRLWSEKAL-UHFFFAOYSA-N
XLogP2.66
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,3S)-3-[(3-benzylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120677215
3-(benzylsulfamoyl)-N-cyclopropylbenzamide
CID 9165600
N-(4-aminocyclohexyl)-3-methylsulfonylbenzamide;hydrochloride
CID 119478074
N-(4-aminocyclohexyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 119476348
N-cyclopropyl-3-methylsulfonylbenzamide
CID 18105935
3-[2-aminoethyl(2-phenylethyl)sulfamoyl]-N-cyclopropylbenzamide
CID 120895786
N-(4-aminocyclohexyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 119474947
N-(4-aminocyclohexyl)-3-chlorobenzamide
CID 62313478
N-(4-aminocyclohexyl)-3-fluorobenzamide
CID 43653117
N-(4-aminocyclohexyl)-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119474946
N-(4-aminocyclohexyl)-3-bromobenzamide;hydrochloride
CID 86277418
1-N-benzyl-3-N-cyclopropylbenzene-1,3-dicarboxamide
CID 109050687

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-benzylsulfonylbenzamide?
The IUPAC name of N-(4-aminocyclohexyl)-3-benzylsulfonylbenzamide (CID 119476656) is N-(4-aminocyclohexyl)-3-benzylsulfonylbenzamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-benzylsulfonylbenzamide?
The canonical SMILES for N-(4-aminocyclohexyl)-3-benzylsulfonylbenzamide is NC1CCC(NC(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-3-benzylsulfonylbenzamide?
The InChIKey is XXBWZKRLWSEKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c21-17-9-11-18(12-10-17)22-20(23)16-7-4-8-19(13-16)26(24,25)14-15-5-2-1-3-6-15/h1-8,13,17-18H,9-12,14,21H2,(H,22,23).
What are the key properties of N-(4-aminocyclohexyl)-3-benzylsulfonylbenzamide?
N-(4-aminocyclohexyl)-3-benzylsulfonylbenzamide has a molecular weight of 372.49 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-benzylsulfonylbenzamide is sourced from PubChem (CID 119476656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).