N-(4-aminocyclohexyl)-4-fluoro-3-(methanesulfonamido)benzamide

C14H20FN3O3S — CID 119475981

IUPACN-(4-aminocyclohexyl)-4-fluoro-3-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1cc(C(=O)NC2CCC(N)CC2)ccc1F
InChIInChI=1S/C14H20FN3O3S/c1-22(20,21)18-13-8-9(2-7-12(13)15)14(19)17-11-5-3-10(16)4-6-11/h2,7-8,10-11,18H,3-6,16H2,1H3,(H,17,19)
InChIKeyLLCDCZXXWAFKFQ-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.20
Rot. Bonds4

About N-(4-aminocyclohexyl)-4-fluoro-3-(methanesulfonamido)benzamide

N-(4-aminocyclohexyl)-4-fluoro-3-(methanesulfonamido)benzamide (PubChem CID 119475981) has the molecular formula C14H20FN3O3S and a molecular weight of 329.40 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-4-fluoro-3-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-4-fluoro-3-(methanesulfonamido)benzamide
PubChem CID119475981
Molecular FormulaC14H20FN3O3S
Molecular Weight329.40 g/mol
Exact Mass329.12
IUPAC NameN-(4-aminocyclohexyl)-4-fluoro-3-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1cc(C(=O)NC2CCC(N)CC2)ccc1F
InChIInChI=1S/C14H20FN3O3S/c1-22(20,21)18-13-8-9(2-7-12(13)15)14(19)17-11-5-3-10(16)4-6-11/h2,7-8,10-11,18H,3-6,16H2,1H3,(H,17,19)
InChIKeyLLCDCZXXWAFKFQ-UHFFFAOYSA-N
XLogP1.20
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(4-aminocyclohexyl)-4-fluoro-3-(methanesulfonamido)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-3-(methanesulfonamido)benzoic acid
CID 47002814
N-(4-aminocyclohexyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 119476348
N-cyclooctyl-3-(methanesulfonamido)-4-methylbenzamide
CID 41467295
N-(4-aminocyclohexyl)-4-chlorobenzamide;hydrochloride
CID 86277368
N-(4-aminocyclohexyl)-3-methylsulfonylbenzamide;hydrochloride
CID 119478074
N-(4-aminocyclohexyl)-3-hydroxy-4-methylbenzamide
CID 43653129
N-(4-aminocyclohexyl)-3-fluorobenzamide
CID 43653117
N-cyclopentyl-4-(methanesulfonamido)-3-methylbenzamide
CID 41466640
N-(4-aminocyclohexyl)-4-(3,4,5-trifluorophenyl)benzamide
CID 119479149
N-(4-aminocyclohexyl)-2-fluoro-5-methylbenzamide;hydrochloride
CID 119476329
3-(methanesulfonamido)-4-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 53281831
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(methanesulfonamido)-4-methylbenzamide
CID 55950566

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-4-fluoro-3-(methanesulfonamido)benzamide?
The IUPAC name of N-(4-aminocyclohexyl)-4-fluoro-3-(methanesulfonamido)benzamide (CID 119475981) is N-(4-aminocyclohexyl)-4-fluoro-3-(methanesulfonamido)benzamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-4-fluoro-3-(methanesulfonamido)benzamide?
The canonical SMILES for N-(4-aminocyclohexyl)-4-fluoro-3-(methanesulfonamido)benzamide is CS(=O)(=O)Nc1cc(C(=O)NC2CCC(N)CC2)ccc1F.
What is the InChIKey of N-(4-aminocyclohexyl)-4-fluoro-3-(methanesulfonamido)benzamide?
The InChIKey is LLCDCZXXWAFKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O3S/c1-22(20,21)18-13-8-9(2-7-12(13)15)14(19)17-11-5-3-10(16)4-6-11/h2,7-8,10-11,18H,3-6,16H2,1H3,(H,17,19).
What are the key properties of N-(4-aminocyclohexyl)-4-fluoro-3-(methanesulfonamido)benzamide?
N-(4-aminocyclohexyl)-4-fluoro-3-(methanesulfonamido)benzamide has a molecular weight of 329.40 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-4-fluoro-3-(methanesulfonamido)benzamide is sourced from PubChem (CID 119475981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).