3-amino-N-(cyclohexylmethyl)-2,4-difluorobenzenesulfonamide

C13H18F2N2O2S — CID 107343158

IUPAC3-amino-N-(cyclohexylmethyl)-2,4-difluorobenzenesulfonamide
SMILESNc1c(F)ccc(S(=O)(=O)NCC2CCCCC2)c1F
InChIInChI=1S/C13H18F2N2O2S/c14-10-6-7-11(12(15)13(10)16)20(18,19)17-8-9-4-2-1-3-5-9/h6-7,9,17H,1-5,8,16H2
InChIKeyFSBSXJBOLUJHQT-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.41
Rot. Bonds4

About 3-amino-N-(cyclohexylmethyl)-2,4-difluorobenzenesulfonamide

3-amino-N-(cyclohexylmethyl)-2,4-difluorobenzenesulfonamide (PubChem CID 107343158) has the molecular formula C13H18F2N2O2S and a molecular weight of 304.36 g/mol. Its IUPAC name is 3-amino-N-(cyclohexylmethyl)-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(cyclohexylmethyl)-2,4-difluorobenzenesulfonamide
PubChem CID107343158
Molecular FormulaC13H18F2N2O2S
Molecular Weight304.36 g/mol
Exact Mass304.11
IUPAC Name3-amino-N-(cyclohexylmethyl)-2,4-difluorobenzenesulfonamide
SMILESNc1c(F)ccc(S(=O)(=O)NCC2CCCCC2)c1F
InChIInChI=1S/C13H18F2N2O2S/c14-10-6-7-11(12(15)13(10)16)20(18,19)17-8-9-4-2-1-3-5-9/h6-7,9,17H,1-5,8,16H2
InChIKeyFSBSXJBOLUJHQT-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-2,4-difluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119335
3-amino-2,4-difluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 107343305
3-amino-2,4-difluoro-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 107343819
3-amino-2,4-difluoro-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide
CID 107416435
N-(cyclobutylmethyl)-3-(ethylaminomethyl)-2,4-difluorobenzenesulfonamide
CID 106024720
3-amino-N-(2,2-dicyclopropylethyl)-2,4-difluorobenzenesulfonamide
CID 107343649
3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2,4-difluorobenzenesulfonamide
CID 107343536
5-amino-2-chloro-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide
CID 61111529
3-amino-N-(1,4-dioxan-2-ylmethyl)-2,4-difluorobenzenesulfonamide
CID 107343258
3-amino-N-(cyclopentylmethyl)-2,4-difluoro-N-methylbenzenesulfonamide
CID 107343551
5-amino-3-chloro-N-(cyclopentylmethyl)-2-fluorobenzenesulfonamide
CID 43370937
5-(aminomethyl)-N-(cyclohexylmethyl)-3-fluoro-2-methylbenzenesulfonamide
CID 106027797

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(cyclohexylmethyl)-2,4-difluorobenzenesulfonamide?
The IUPAC name of 3-amino-N-(cyclohexylmethyl)-2,4-difluorobenzenesulfonamide (CID 107343158) is 3-amino-N-(cyclohexylmethyl)-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(cyclohexylmethyl)-2,4-difluorobenzenesulfonamide?
The canonical SMILES for 3-amino-N-(cyclohexylmethyl)-2,4-difluorobenzenesulfonamide is Nc1c(F)ccc(S(=O)(=O)NCC2CCCCC2)c1F.
What is the InChIKey of 3-amino-N-(cyclohexylmethyl)-2,4-difluorobenzenesulfonamide?
The InChIKey is FSBSXJBOLUJHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2S/c14-10-6-7-11(12(15)13(10)16)20(18,19)17-8-9-4-2-1-3-5-9/h6-7,9,17H,1-5,8,16H2.
What are the key properties of 3-amino-N-(cyclohexylmethyl)-2,4-difluorobenzenesulfonamide?
3-amino-N-(cyclohexylmethyl)-2,4-difluorobenzenesulfonamide has a molecular weight of 304.36 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(cyclohexylmethyl)-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 107343158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).