N-(cyclohexylmethyl)-2-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide

C21H25FN2O3S — CID 39567590

IUPACN-(cyclohexylmethyl)-2-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide
SMILESCN(CC1CCCCC1)C(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C21H25FN2O3S/c1-24(15-16-7-3-2-4-8-16)21(25)19-9-5-6-10-20(19)23-28(26,27)18-13-11-17(22)12-14-18/h5-6,9-14,16,23H,2-4,7-8,15H2,1H3
InChIKeyHLAZKYNTVCJWAN-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.28
Rot. Bonds6

About N-(cyclohexylmethyl)-2-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide

N-(cyclohexylmethyl)-2-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide (PubChem CID 39567590) has the molecular formula C21H25FN2O3S and a molecular weight of 404.51 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide
PubChem CID39567590
Molecular FormulaC21H25FN2O3S
Molecular Weight404.51 g/mol
Exact Mass404.16
IUPAC NameN-(cyclohexylmethyl)-2-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide
SMILESCN(CC1CCCCC1)C(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C21H25FN2O3S/c1-24(15-16-7-3-2-4-8-16)21(25)19-9-5-6-10-20(19)23-28(26,27)18-13-11-17(22)12-14-18/h5-6,9-14,16,23H,2-4,7-8,15H2,1H3
InChIKeyHLAZKYNTVCJWAN-UHFFFAOYSA-N
XLogP4.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexylmethyl)-4-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 43057461
N-(cyclopentylmethyl)-2-hydrazinyl-N-methylbenzamide
CID 63656583
N-(cyclopropylmethyl)-N-methyl-2-(propan-2-ylamino)benzamide
CID 55177665
N-[3-(cyclopropylmethoxy)propyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 29238978
N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-4-fluorobenzenesulfonamide
CID 2336837
N-(cyclopropylmethyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-propylbenzamide
CID 112812922
N-[2-(aziridine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
CID 2336130
N-butan-2-yl-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 51170211
2-bromo-N-(cyclohexylmethyl)-N-methylpyridine-3-carboxamide
CID 103754238
2-[cyclobutylmethyl(methyl)carbamoyl]-4-fluorobenzenesulfonyl chloride
CID 62861010
2-chloro-N-(cyclohexylmethyl)-5-(dimethylsulfamoyl)-N-methylbenzamide
CID 36520929
2-(cyclopropylmethylamino)-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
CID 119676625

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide?
The IUPAC name of N-(cyclohexylmethyl)-2-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide (CID 39567590) is N-(cyclohexylmethyl)-2-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide is CN(CC1CCCCC1)C(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(cyclohexylmethyl)-2-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide?
The InChIKey is HLAZKYNTVCJWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3S/c1-24(15-16-7-3-2-4-8-16)21(25)19-9-5-6-10-20(19)23-28(26,27)18-13-11-17(22)12-14-18/h5-6,9-14,16,23H,2-4,7-8,15H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-2-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide?
N-(cyclohexylmethyl)-2-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide has a molecular weight of 404.51 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide is sourced from PubChem (CID 39567590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).