N-[(1-aminocyclohexyl)methyl]-3,4-difluorobenzenesulfonamide

C13H18F2N2O2S — CID 43598226

IUPACN-[(1-aminocyclohexyl)methyl]-3,4-difluorobenzenesulfonamide
SMILESNC1(CNS(=O)(=O)c2ccc(F)c(F)c2)CCCCC1
InChIInChI=1S/C13H18F2N2O2S/c14-11-5-4-10(8-12(11)15)20(18,19)17-9-13(16)6-2-1-3-7-13/h4-5,8,17H,1-3,6-7,9,16H2
InChIKeyHDPMSLMQBQSUGE-UHFFFAOYSA-N
MW304.36 g/mol
LogP1.90
Rot. Bonds4

About N-[(1-aminocyclohexyl)methyl]-3,4-difluorobenzenesulfonamide

N-[(1-aminocyclohexyl)methyl]-3,4-difluorobenzenesulfonamide (PubChem CID 43598226) has the molecular formula C13H18F2N2O2S and a molecular weight of 304.36 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]-3,4-difluorobenzenesulfonamide
PubChem CID43598226
Molecular FormulaC13H18F2N2O2S
Molecular Weight304.36 g/mol
Exact Mass304.11
IUPAC NameN-[(1-aminocyclohexyl)methyl]-3,4-difluorobenzenesulfonamide
SMILESNC1(CNS(=O)(=O)c2ccc(F)c(F)c2)CCCCC1
InChIInChI=1S/C13H18F2N2O2S/c14-11-5-4-10(8-12(11)15)20(18,19)17-9-13(16)6-2-1-3-7-13/h4-5,8,17H,1-3,6-7,9,16H2
InChIKeyHDPMSLMQBQSUGE-UHFFFAOYSA-N
XLogP1.90
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-aminocyclohexyl)methyl]-4-fluorobenzenesulfonamide;hydrochloride
CID 119958872
N-[(1-aminocyclohexyl)methyl]-3-fluorobenzenesulfonamide;hydrochloride
CID 119958904
N-[(1-aminocycloheptyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 43598256
N-[(1-aminocyclohexyl)methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 119958876
N-[(1-aminocyclohexyl)methyl]-4-methylbenzenesulfonamide;hydrochloride
CID 71757234
N-[(1-aminocyclohexyl)methyl]-2,4-difluorobenzenesulfonamide;hydrochloride
CID 119958843
N-[(1-aminocycloheptyl)methyl]-2-fluoro-5-methylbenzenesulfonamide;hydrochloride
CID 119998528
3-amino-4-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 65103398
4-N-[(1-aminocycloheptyl)methyl]-1-N,2-dimethylbenzene-1,4-disulfonamide
CID 120875665
N-[(1-aminocycloheptyl)methyl]-3,5-dimethylbenzenesulfonamide
CID 60776396
N-[(1-aminocyclohexyl)methyl]-4-cyanobenzenesulfonamide
CID 43598191
N-[(1-aminocycloheptyl)methyl]-4-methyl-3-nitrobenzenesulfonamide
CID 119998649

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]-3,4-difluorobenzenesulfonamide (CID 43598226) is N-[(1-aminocyclohexyl)methyl]-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]-3,4-difluorobenzenesulfonamide is NC1(CNS(=O)(=O)c2ccc(F)c(F)c2)CCCCC1.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]-3,4-difluorobenzenesulfonamide?
The InChIKey is HDPMSLMQBQSUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2S/c14-11-5-4-10(8-12(11)15)20(18,19)17-9-13(16)6-2-1-3-7-13/h4-5,8,17H,1-3,6-7,9,16H2.
What are the key properties of N-[(1-aminocyclohexyl)methyl]-3,4-difluorobenzenesulfonamide?
N-[(1-aminocyclohexyl)methyl]-3,4-difluorobenzenesulfonamide has a molecular weight of 304.36 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclohexyl)methyl]-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 43598226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).