5-amino-3-chloro-2-fluoro-N-(2-methylcyclohexyl)benzenesulfonamide

C13H18ClFN2O2S — CID 43257648

IUPAC5-amino-3-chloro-2-fluoro-N-(2-methylcyclohexyl)benzenesulfonamide
SMILESCC1CCCCC1NS(=O)(=O)c1cc(N)cc(Cl)c1F
InChIInChI=1S/C13H18ClFN2O2S/c1-8-4-2-3-5-11(8)17-20(18,19)12-7-9(16)6-10(14)13(12)15/h6-8,11,17H,2-5,16H2,1H3
InChIKeyASAQJUMLKNOXCR-UHFFFAOYSA-N
MW320.82 g/mol
LogP2.92
Rot. Bonds3

About 5-amino-3-chloro-2-fluoro-N-(2-methylcyclohexyl)benzenesulfonamide

5-amino-3-chloro-2-fluoro-N-(2-methylcyclohexyl)benzenesulfonamide (PubChem CID 43257648) has the molecular formula C13H18ClFN2O2S and a molecular weight of 320.82 g/mol. Its IUPAC name is 5-amino-3-chloro-2-fluoro-N-(2-methylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-fluoro-N-(2-methylcyclohexyl)benzenesulfonamide
PubChem CID43257648
Molecular FormulaC13H18ClFN2O2S
Molecular Weight320.82 g/mol
Exact Mass320.08
IUPAC Name5-amino-3-chloro-2-fluoro-N-(2-methylcyclohexyl)benzenesulfonamide
SMILESCC1CCCCC1NS(=O)(=O)c1cc(N)cc(Cl)c1F
InChIInChI=1S/C13H18ClFN2O2S/c1-8-4-2-3-5-11(8)17-20(18,19)12-7-9(16)6-10(14)13(12)15/h6-8,11,17H,2-5,16H2,1H3
InChIKeyASAQJUMLKNOXCR-UHFFFAOYSA-N
XLogP2.92
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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-3-chloro-2-fluoro-N-(2-methylcyclopropyl)benzenesulfonamide
CID 55071329
5-amino-3-chloro-2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213485
4-amino-2,6-dichloro-N-(2-methylcyclohexyl)benzenesulfonamide
CID 43257649
5-amino-3-chloro-2-fluoro-N-(3-methylcyclobutyl)benzenesulfonamide
CID 113467079
2,4,5-trichloro-N-(2-methylcyclohexyl)benzenesulfonamide
CID 19681997
4,5-dichloro-2-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 39116281
5-amino-3-chloro-N-(cyclopentylmethyl)-2-fluorobenzenesulfonamide
CID 43370937
4-amino-2,6-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 79588504
5-amino-3-chloro-N-(3-ethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 64748610
4-bromo-2-chloro-N-(2-methylcyclohexyl)benzenesulfonamide
CID 60640100
4-amino-2-bromo-N-(2-methylcyclohexyl)benzenesulfonamide
CID 43256037
2-amino-5-bromo-4-fluoro-N-(2-methylcycloheptyl)benzenesulfonamide
CID 106491879

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-fluoro-N-(2-methylcyclohexyl)benzenesulfonamide?
The IUPAC name of 5-amino-3-chloro-2-fluoro-N-(2-methylcyclohexyl)benzenesulfonamide (CID 43257648) is 5-amino-3-chloro-2-fluoro-N-(2-methylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-3-chloro-2-fluoro-N-(2-methylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 5-amino-3-chloro-2-fluoro-N-(2-methylcyclohexyl)benzenesulfonamide is CC1CCCCC1NS(=O)(=O)c1cc(N)cc(Cl)c1F.
What is the InChIKey of 5-amino-3-chloro-2-fluoro-N-(2-methylcyclohexyl)benzenesulfonamide?
The InChIKey is ASAQJUMLKNOXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O2S/c1-8-4-2-3-5-11(8)17-20(18,19)12-7-9(16)6-10(14)13(12)15/h6-8,11,17H,2-5,16H2,1H3.
What are the key properties of 5-amino-3-chloro-2-fluoro-N-(2-methylcyclohexyl)benzenesulfonamide?
5-amino-3-chloro-2-fluoro-N-(2-methylcyclohexyl)benzenesulfonamide has a molecular weight of 320.82 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-fluoro-N-(2-methylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 43257648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).