4-amino-3-fluoro-N-(4-propylcyclohexyl)benzenesulfonamide

C15H23FN2O2S — CID 82845720

IUPAC4-amino-3-fluoro-N-(4-propylcyclohexyl)benzenesulfonamide
SMILESCCCC1CCC(NS(=O)(=O)c2ccc(N)c(F)c2)CC1
InChIInChI=1S/C15H23FN2O2S/c1-2-3-11-4-6-12(7-5-11)18-21(19,20)13-8-9-15(17)14(16)10-13/h8-12,18H,2-7,17H2,1H3
InChIKeyKRICWHLZWANXHB-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.05
Rot. Bonds5

About 4-amino-3-fluoro-N-(4-propylcyclohexyl)benzenesulfonamide

4-amino-3-fluoro-N-(4-propylcyclohexyl)benzenesulfonamide (PubChem CID 82845720) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-(4-propylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-(4-propylcyclohexyl)benzenesulfonamide
PubChem CID82845720
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC Name4-amino-3-fluoro-N-(4-propylcyclohexyl)benzenesulfonamide
SMILESCCCC1CCC(NS(=O)(=O)c2ccc(N)c(F)c2)CC1
InChIInChI=1S/C15H23FN2O2S/c1-2-3-11-4-6-12(7-5-11)18-21(19,20)13-8-9-15(17)14(16)10-13/h8-12,18H,2-7,17H2,1H3
InChIKeyKRICWHLZWANXHB-UHFFFAOYSA-N
XLogP3.05
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.05
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

4-amino-3-fluoro-N-(4-methylcyclohexyl)benzenesulfonamide
CID 82843999
4-amino-N-(1-ethylpiperidin-4-yl)-3-fluorobenzenesulfonamide
CID 82844406
4-amino-N-(2-cyclohexylethyl)-3-fluorobenzenesulfonamide
CID 82843865
4-amino-N-(1-cyclopropylpropan-2-yl)-3-fluorobenzenesulfonamide
CID 82844725
4-amino-3-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
CID 82843888
4-amino-3-fluoro-N-(2-methylpentan-2-yl)benzenesulfonamide
CID 113471557
N-(4-aminocyclohexyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride
CID 119970503
3-amino-4-ethyl-N-(4-hydroxycyclohexyl)benzenesulfonamide
CID 43257259
4-amino-3-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213611
4-amino-3-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 82844106
3,4-difluoro-N-(1-propylpiperidin-4-yl)benzenesulfonamide
CID 22772626
4-amino-3-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 82843843

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-(4-propylcyclohexyl)benzenesulfonamide?
The IUPAC name of 4-amino-3-fluoro-N-(4-propylcyclohexyl)benzenesulfonamide (CID 82845720) is 4-amino-3-fluoro-N-(4-propylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-fluoro-N-(4-propylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 4-amino-3-fluoro-N-(4-propylcyclohexyl)benzenesulfonamide is CCCC1CCC(NS(=O)(=O)c2ccc(N)c(F)c2)CC1.
What is the InChIKey of 4-amino-3-fluoro-N-(4-propylcyclohexyl)benzenesulfonamide?
The InChIKey is KRICWHLZWANXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-2-3-11-4-6-12(7-5-11)18-21(19,20)13-8-9-15(17)14(16)10-13/h8-12,18H,2-7,17H2,1H3.
What are the key properties of 4-amino-3-fluoro-N-(4-propylcyclohexyl)benzenesulfonamide?
4-amino-3-fluoro-N-(4-propylcyclohexyl)benzenesulfonamide has a molecular weight of 314.43 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoro-N-(4-propylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 82845720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).