5-amino-2-chloro-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide

C14H20ClFN2O2S — CID 61113212

IUPAC5-amino-2-chloro-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide
SMILESCC1CCCC(NS(=O)(=O)c2cc(N)c(F)cc2Cl)C1C
InChIInChI=1S/C14H20ClFN2O2S/c1-8-4-3-5-13(9(8)2)18-21(19,20)14-7-12(17)11(16)6-10(14)15/h6-9,13,18H,3-5,17H2,1-2H3
InChIKeyCWPCDERAXFYNKS-UHFFFAOYSA-N
MW334.84 g/mol
LogP3.16
Rot. Bonds3

About 5-amino-2-chloro-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide

5-amino-2-chloro-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide (PubChem CID 61113212) has the molecular formula C14H20ClFN2O2S and a molecular weight of 334.84 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide
PubChem CID61113212
Molecular FormulaC14H20ClFN2O2S
Molecular Weight334.84 g/mol
Exact Mass334.09
IUPAC Name5-amino-2-chloro-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide
SMILESCC1CCCC(NS(=O)(=O)c2cc(N)c(F)cc2Cl)C1C
InChIInChI=1S/C14H20ClFN2O2S/c1-8-4-3-5-13(9(8)2)18-21(19,20)14-7-12(17)11(16)6-10(14)15/h6-9,13,18H,3-5,17H2,1-2H3
InChIKeyCWPCDERAXFYNKS-UHFFFAOYSA-N
XLogP3.16
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.84
LogP ≤ 53.16
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-4-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 62366150
2-amino-5-bromo-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide
CID 106491289
5-amino-2-chloro-N-(3-ethylcyclohexyl)-4-fluorobenzenesulfonamide
CID 64748607
5-amino-2-chloro-4-fluoro-N-(oxan-4-yl)benzenesulfonamide
CID 61111911
5-amino-2-chloro-N-(2,3-dimethylcyclopentyl)benzenesulfonamide
CID 64909057
2,4,5-trichloro-N-(2-methylcyclohexyl)benzenesulfonamide
CID 19681997
2-(aminomethyl)-N-(2,3-dimethylcyclohexyl)-5-fluorobenzenesulfonamide
CID 106060261
5-amino-4-bromo-2-fluoro-N-(2-methylcycloheptyl)benzenesulfonamide
CID 116530440
5-amino-3-chloro-2-fluoro-N-(2-methylcyclohexyl)benzenesulfonamide
CID 43257648
5-amino-2-chloro-N-(1,1-dioxothian-3-yl)-4-fluorobenzenesulfonamide
CID 63923877
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2,6-difluorobenzenesulfonamide
CID 11928435
5-amino-2,4-difluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213623

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide (CID 61113212) is 5-amino-2-chloro-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide is CC1CCCC(NS(=O)(=O)c2cc(N)c(F)cc2Cl)C1C.
What is the InChIKey of 5-amino-2-chloro-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide?
The InChIKey is CWPCDERAXFYNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2O2S/c1-8-4-3-5-13(9(8)2)18-21(19,20)14-7-12(17)11(16)6-10(14)15/h6-9,13,18H,3-5,17H2,1-2H3.
What are the key properties of 5-amino-2-chloro-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide?
5-amino-2-chloro-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide has a molecular weight of 334.84 g/mol, XLogP of 3.16, 3 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-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 61113212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).