5-amino-2-chloro-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide

C13H18ClFN2O2S — CID 61111529

IUPAC5-amino-2-chloro-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCC2CCCCC2)c(Cl)cc1F
InChIInChI=1S/C13H18ClFN2O2S/c14-10-6-11(15)12(16)7-13(10)20(18,19)17-8-9-4-2-1-3-5-9/h6-7,9,17H,1-5,8,16H2
InChIKeyXXTCJCFGNCKJPE-UHFFFAOYSA-N
MW320.82 g/mol
LogP2.92
Rot. Bonds4

About 5-amino-2-chloro-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide

5-amino-2-chloro-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide (PubChem CID 61111529) has the molecular formula C13H18ClFN2O2S and a molecular weight of 320.82 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide
PubChem CID61111529
Molecular FormulaC13H18ClFN2O2S
Molecular Weight320.82 g/mol
Exact Mass320.08
IUPAC Name5-amino-2-chloro-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCC2CCCCC2)c(Cl)cc1F
InChIInChI=1S/C13H18ClFN2O2S/c14-10-6-11(15)12(16)7-13(10)20(18,19)17-8-9-4-2-1-3-5-9/h6-7,9,17H,1-5,8,16H2
InChIKeyXXTCJCFGNCKJPE-UHFFFAOYSA-N
XLogP2.92
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.92
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

5-amino-2-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-4-fluorobenzenesulfonamide
CID 61125691
5-amino-3-chloro-N-(cyclopentylmethyl)-2-fluorobenzenesulfonamide
CID 43370937
5-amino-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide
CID 43370966
5-amino-2-chloro-4-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 62366150
3-amino-2-bromo-5-chloro-N-(cyclohexylmethyl)benzenesulfonamide
CID 62955309
5-amino-2-chloro-N-(2,2-dimethylpropyl)-4-fluorobenzenesulfonamide
CID 61165880
5-amino-2-chloro-4-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61111152
5-amino-2-chloro-N-(3-ethylcyclohexyl)-4-fluorobenzenesulfonamide
CID 64748607
5-amino-2-chloro-4-fluoro-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 61125686
3-amino-N-(cyclohexylmethyl)-2,4-difluorobenzenesulfonamide
CID 107343158
5-amino-2-chloro-N-(cyclopropylmethyl)benzenesulfonamide
CID 29031468
4-bromo-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide
CID 46406690

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide (CID 61111529) is 5-amino-2-chloro-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide is Nc1cc(S(=O)(=O)NCC2CCCCC2)c(Cl)cc1F.
What is the InChIKey of 5-amino-2-chloro-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide?
The InChIKey is XXTCJCFGNCKJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O2S/c14-10-6-11(15)12(16)7-13(10)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 5-amino-2-chloro-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide?
5-amino-2-chloro-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide has a molecular weight of 320.82 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 61111529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).