N-(3-fluoro-4-pyridinyl)-4-(propylamino)benzenesulfonamide

C14H16FN3O2S — CID 107595393

IUPACN-(3-fluoro-4-pyridinyl)-4-(propylamino)benzenesulfonamide
SMILESCCCNc1ccc(S(=O)(=O)Nc2ccncc2F)cc1
InChIInChI=1S/C14H16FN3O2S/c1-2-8-17-11-3-5-12(6-4-11)21(19,20)18-14-7-9-16-10-13(14)15/h3-7,9-10,17H,2,8H2,1H3,(H,16,18)
InChIKeyQVMLEWIHVSMQNI-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.84
Rot. Bonds6

About N-(3-fluoro-4-pyridinyl)-4-(propylamino)benzenesulfonamide

N-(3-fluoro-4-pyridinyl)-4-(propylamino)benzenesulfonamide (PubChem CID 107595393) has the molecular formula C14H16FN3O2S and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(3-fluoro-4-pyridinyl)-4-(propylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-4-pyridinyl)-4-(propylamino)benzenesulfonamide
PubChem CID107595393
Molecular FormulaC14H16FN3O2S
Molecular Weight309.37 g/mol
Exact Mass309.09
IUPAC NameN-(3-fluoro-4-pyridinyl)-4-(propylamino)benzenesulfonamide
SMILESCCCNc1ccc(S(=O)(=O)Nc2ccncc2F)cc1
InChIInChI=1S/C14H16FN3O2S/c1-2-8-17-11-3-5-12(6-4-11)21(19,20)18-14-7-9-16-10-13(14)15/h3-7,9-10,17H,2,8H2,1H3,(H,16,18)
InChIKeyQVMLEWIHVSMQNI-UHFFFAOYSA-N
XLogP2.84
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-3-pyridinyl)-4-(propylamino)benzenesulfonamide
CID 63328119
N-(3-fluoro-4-pyridinyl)-4-hydroxybenzenesulfonamide
CID 107595237
4-acetyl-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 103862771
N-(3-fluoro-4-pyridinyl)-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 107595353
N-(4-iodophenyl)-4-(propylamino)benzenesulfonamide
CID 62142672
N-(1,2-oxazol-3-yl)-4-(propylamino)benzenesulfonamide
CID 62904312
N-(3-fluoro-4-pyridinyl)-5-(propylamino)pyridine-2-carboxamide
CID 107595450
2-fluoro-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 113340997
4-bromo-N-[4-(propylamino)phenyl]benzenesulfonamide
CID 112979761
N-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide
CID 103862773
N-(2-methylpyrazol-3-yl)-4-(propylamino)benzenesulfonamide
CID 62157548
N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyridinyl)-4-(propylamino)benzenesulfonamide?
The IUPAC name of N-(3-fluoro-4-pyridinyl)-4-(propylamino)benzenesulfonamide (CID 107595393) is N-(3-fluoro-4-pyridinyl)-4-(propylamino)benzenesulfonamide.
What is the SMILES notation for N-(3-fluoro-4-pyridinyl)-4-(propylamino)benzenesulfonamide?
The canonical SMILES for N-(3-fluoro-4-pyridinyl)-4-(propylamino)benzenesulfonamide is CCCNc1ccc(S(=O)(=O)Nc2ccncc2F)cc1.
What is the InChIKey of N-(3-fluoro-4-pyridinyl)-4-(propylamino)benzenesulfonamide?
The InChIKey is QVMLEWIHVSMQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S/c1-2-8-17-11-3-5-12(6-4-11)21(19,20)18-14-7-9-16-10-13(14)15/h3-7,9-10,17H,2,8H2,1H3,(H,16,18).
What are the key properties of N-(3-fluoro-4-pyridinyl)-4-(propylamino)benzenesulfonamide?
N-(3-fluoro-4-pyridinyl)-4-(propylamino)benzenesulfonamide has a molecular weight of 309.37 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pyridinyl)-4-(propylamino)benzenesulfonamide is sourced from PubChem (CID 107595393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).