N-(4-aminocyclohexyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide

C19H22FN3O3S — CID 119476348

IUPACN-(4-aminocyclohexyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide
SMILESNC1CCC(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)CC1
InChIInChI=1S/C19H22FN3O3S/c20-17-6-1-2-7-18(17)23-27(25,26)16-5-3-4-13(12-16)19(24)22-15-10-8-14(21)9-11-15/h1-7,12,14-15,23H,8-11,21H2,(H,22,24)
InChIKeyFOUYNZNIJSYSTN-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.63
Rot. Bonds5

About N-(4-aminocyclohexyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide

N-(4-aminocyclohexyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide (PubChem CID 119476348) has the molecular formula C19H22FN3O3S and a molecular weight of 391.47 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide
PubChem CID119476348
Molecular FormulaC19H22FN3O3S
Molecular Weight391.47 g/mol
Exact Mass391.14
IUPAC NameN-(4-aminocyclohexyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide
SMILESNC1CCC(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)CC1
InChIInChI=1S/C19H22FN3O3S/c20-17-6-1-2-7-18(17)23-27(25,26)16-5-3-4-13(12-16)19(24)22-15-10-8-14(21)9-11-15/h1-7,12,14-15,23H,8-11,21H2,(H,22,24)
InChIKeyFOUYNZNIJSYSTN-UHFFFAOYSA-N
XLogP2.63
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-chlorophenyl)sulfamoyl]-N-cyclopentylbenzamide
CID 9214750
N-[2-(aminomethyl)cyclopentyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 119602518
N-(4-aminocyclohexyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 119474947
N-cyclopentyl-3-[(2,3,4-trifluorophenyl)sulfamoyl]benzamide
CID 109063262
3-[(2-fluorophenyl)sulfamoyl]-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
CID 55858580
N-(4-aminocyclohexyl)-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119474946
N-cycloheptyl-4-[(2-fluorophenyl)sulfamoyl]benzamide
CID 71903641
N-(4-aminocyclohexyl)-3-methylsulfonylbenzamide;hydrochloride
CID 119478074
N-cyclopropyl-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26693958
3-[(2-fluorophenyl)sulfamoyl]-N-(3-methylpiperidin-4-yl)benzamide
CID 120554339
N-(4-aminocyclohexyl)-4-fluoro-3-(methanesulfonamido)benzamide
CID 119475981
N-(4-aminocyclohexyl)-3-fluorobenzamide
CID 43653117

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide?
The IUPAC name of N-(4-aminocyclohexyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide (CID 119476348) is N-(4-aminocyclohexyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(4-aminocyclohexyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide is NC1CCC(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide?
The InChIKey is FOUYNZNIJSYSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3S/c20-17-6-1-2-7-18(17)23-27(25,26)16-5-3-4-13(12-16)19(24)22-15-10-8-14(21)9-11-15/h1-7,12,14-15,23H,8-11,21H2,(H,22,24).
What are the key properties of N-(4-aminocyclohexyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide?
N-(4-aminocyclohexyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide has a molecular weight of 391.47 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide is sourced from PubChem (CID 119476348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).