5-amino-3-chloro-N-(3-ethylcyclohexyl)-2-fluorobenzenesulfonamide

C14H20ClFN2O2S — CID 64748610

IUPAC5-amino-3-chloro-N-(3-ethylcyclohexyl)-2-fluorobenzenesulfonamide
SMILESCCC1CCCC(NS(=O)(=O)c2cc(N)cc(Cl)c2F)C1
InChIInChI=1S/C14H20ClFN2O2S/c1-2-9-4-3-5-11(6-9)18-21(19,20)13-8-10(17)7-12(15)14(13)16/h7-9,11,18H,2-6,17H2,1H3
InChIKeyZIWJJLVLAPHNDR-UHFFFAOYSA-N
MW334.84 g/mol
LogP3.31
Rot. Bonds4

About 5-amino-3-chloro-N-(3-ethylcyclohexyl)-2-fluorobenzenesulfonamide

5-amino-3-chloro-N-(3-ethylcyclohexyl)-2-fluorobenzenesulfonamide (PubChem CID 64748610) has the molecular formula C14H20ClFN2O2S and a molecular weight of 334.84 g/mol. Its IUPAC name is 5-amino-3-chloro-N-(3-ethylcyclohexyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-chloro-N-(3-ethylcyclohexyl)-2-fluorobenzenesulfonamide
PubChem CID64748610
Molecular FormulaC14H20ClFN2O2S
Molecular Weight334.84 g/mol
Exact Mass334.09
IUPAC Name5-amino-3-chloro-N-(3-ethylcyclohexyl)-2-fluorobenzenesulfonamide
SMILESCCC1CCCC(NS(=O)(=O)c2cc(N)cc(Cl)c2F)C1
InChIInChI=1S/C14H20ClFN2O2S/c1-2-9-4-3-5-11(6-9)18-21(19,20)13-8-10(17)7-12(15)14(13)16/h7-9,11,18H,2-6,17H2,1H3
InChIKeyZIWJJLVLAPHNDR-UHFFFAOYSA-N
XLogP3.31
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.84
LogP ≤ 53.31
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-(3-ethylcyclohexyl)-4-fluorobenzenesulfonamide
CID 64748607
5-amino-3-chloro-2-fluoro-N-(3-methylcyclobutyl)benzenesulfonamide
CID 113467079
3-amino-5-chloro-N-(3-ethylcyclohexyl)-2-methylbenzenesulfonamide
CID 114379774
5-amino-3-chloro-N-(cyclopentylmethyl)-2-fluorobenzenesulfonamide
CID 43370937
5-amino-3-chloro-2-fluoro-N-(2-methylcyclopropyl)benzenesulfonamide
CID 55071329
5-amino-3-chloro-2-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119384
4-(aminomethyl)-N-(3-ethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 106068638
5-amino-3-chloro-2-fluoro-N-(2-methylcyclohexyl)benzenesulfonamide
CID 43257648
5-amino-3-chloro-2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213485
N-(3-ethylcyclohexyl)-4-fluorobenzenesulfonamide
CID 64749989
2-chloro-N-(3-ethylcyclohexyl)pyridine-4-sulfonamide
CID 64749413
3-amino-N-(3-ethylcyclohexyl)-4-hydroxybenzenesulfonamide
CID 64748214

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-N-(3-ethylcyclohexyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 5-amino-3-chloro-N-(3-ethylcyclohexyl)-2-fluorobenzenesulfonamide (CID 64748610) is 5-amino-3-chloro-N-(3-ethylcyclohexyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-3-chloro-N-(3-ethylcyclohexyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-amino-3-chloro-N-(3-ethylcyclohexyl)-2-fluorobenzenesulfonamide is CCC1CCCC(NS(=O)(=O)c2cc(N)cc(Cl)c2F)C1.
What is the InChIKey of 5-amino-3-chloro-N-(3-ethylcyclohexyl)-2-fluorobenzenesulfonamide?
The InChIKey is ZIWJJLVLAPHNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2O2S/c1-2-9-4-3-5-11(6-9)18-21(19,20)13-8-10(17)7-12(15)14(13)16/h7-9,11,18H,2-6,17H2,1H3.
What are the key properties of 5-amino-3-chloro-N-(3-ethylcyclohexyl)-2-fluorobenzenesulfonamide?
5-amino-3-chloro-N-(3-ethylcyclohexyl)-2-fluorobenzenesulfonamide has a molecular weight of 334.84 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-N-(3-ethylcyclohexyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 64748610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).