N-(3-fluorophenyl)-2-(propylamino)benzenesulfonamide

C15H17FN2O2S — CID 62143114

IUPACN-(3-fluorophenyl)-2-(propylamino)benzenesulfonamide
SMILESCCCNc1ccccc1S(=O)(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H17FN2O2S/c1-2-10-17-14-8-3-4-9-15(14)21(19,20)18-13-7-5-6-12(16)11-13/h3-9,11,17-18H,2,10H2,1H3
InChIKeyBCGVZLXUOKPYFE-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.45
Rot. Bonds6

About N-(3-fluorophenyl)-2-(propylamino)benzenesulfonamide

N-(3-fluorophenyl)-2-(propylamino)benzenesulfonamide (PubChem CID 62143114) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-(propylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-(propylamino)benzenesulfonamide
PubChem CID62143114
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC NameN-(3-fluorophenyl)-2-(propylamino)benzenesulfonamide
SMILESCCCNc1ccccc1S(=O)(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H17FN2O2S/c1-2-10-17-14-8-3-4-9-15(14)21(19,20)18-13-7-5-6-12(16)11-13/h3-9,11,17-18H,2,10H2,1H3
InChIKeyBCGVZLXUOKPYFE-UHFFFAOYSA-N
XLogP3.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103303892
N-(2-methyl-4-pyridinyl)-2-(propylamino)benzenesulfonamide
CID 79233091
N-(3-chloro-5-fluorophenyl)-2-(ethylamino)benzenesulfonamide
CID 107370419
2-(propylamino)-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 55043588
N-(4-chloro-3-fluorophenyl)-2-(ethylamino)benzenesulfonamide
CID 62153791
2-(aminomethyl)-5-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 106060604
5-ethyl-N-(3-fluorophenyl)thiophene-2-sulfonamide
CID 47309123
N-(3-fluorophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106060591
2-bromo-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 47257466
2-amino-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 29053554
5-amino-N-(3-fluorophenyl)-2,3-dimethylbenzenesulfonamide
CID 29277276
4-chloro-N-(3-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 17377299

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-(propylamino)benzenesulfonamide?
The IUPAC name of N-(3-fluorophenyl)-2-(propylamino)benzenesulfonamide (CID 62143114) is N-(3-fluorophenyl)-2-(propylamino)benzenesulfonamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-(propylamino)benzenesulfonamide?
The canonical SMILES for N-(3-fluorophenyl)-2-(propylamino)benzenesulfonamide is CCCNc1ccccc1S(=O)(=O)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-(propylamino)benzenesulfonamide?
The InChIKey is BCGVZLXUOKPYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-2-10-17-14-8-3-4-9-15(14)21(19,20)18-13-7-5-6-12(16)11-13/h3-9,11,17-18H,2,10H2,1H3.
What are the key properties of N-(3-fluorophenyl)-2-(propylamino)benzenesulfonamide?
N-(3-fluorophenyl)-2-(propylamino)benzenesulfonamide has a molecular weight of 308.38 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-(propylamino)benzenesulfonamide is sourced from PubChem (CID 62143114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).