3-fluoro-N-[3-methyl-4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide

C19H17FN2O2S — CID 56651283

IUPAC3-fluoro-N-[3-methyl-4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cccc(F)c2)ccc1-c1cnccc1C
InChIInChI=1S/C19H17FN2O2S/c1-13-8-9-21-12-19(13)18-7-6-16(10-14(18)2)22-25(23,24)17-5-3-4-15(20)11-17/h3-12,22H,1-2H3
InChIKeyBDKXRNIEXLRBOK-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.31
Rot. Bonds4

About 3-fluoro-N-[3-methyl-4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide

3-fluoro-N-[3-methyl-4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide (PubChem CID 56651283) has the molecular formula C19H17FN2O2S and a molecular weight of 356.42 g/mol. Its IUPAC name is 3-fluoro-N-[3-methyl-4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[3-methyl-4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide
PubChem CID56651283
Molecular FormulaC19H17FN2O2S
Molecular Weight356.42 g/mol
Exact Mass356.10
IUPAC Name3-fluoro-N-[3-methyl-4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cccc(F)c2)ccc1-c1cnccc1C
InChIInChI=1S/C19H17FN2O2S/c1-13-8-9-21-12-19(13)18-7-6-16(10-14(18)2)22-25(23,24)17-5-3-4-15(20)11-17/h3-12,22H,1-2H3
InChIKeyBDKXRNIEXLRBOK-UHFFFAOYSA-N
XLogP4.31
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methylphenyl)-3-fluorobenzenesulfonamide
CID 24708334
2,5-dichloro-N-[3-methyl-4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide
CID 66714005
N-(6-chloro-5-methyl-3-pyridinyl)-3-fluorobenzenesulfonamide
CID 113253371
N-[4-(4-methyl-3-pyridinyl)phenyl]pyridine-3-sulfonamide
CID 56652325
N-[3-methyl-4-(4-methyl-3-pyridinyl)phenyl]-3-sulfanylidenecyclohexa-1,5-diene-1-sulfonamide
CID 122506051
3,5-dichloro-N-[4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide
CID 66714618
3-fluoro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635821
3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-disulfonamide
CID 49186407
N-[3-(aminomethyl)phenyl]-3-fluorobenzenesulfonamide
CID 16778006
3-(2-chloro-4-fluorophenyl)-4-methylpyridine
CID 56710047
N-[4-(dimethylamino)phenyl]-3-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 11165024
4-[(3-fluorophenyl)sulfonylamino]-N-pyridin-4-ylbenzenecarboximidate
CID 4693540

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[3-methyl-4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[3-methyl-4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide (CID 56651283) is 3-fluoro-N-[3-methyl-4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[3-methyl-4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[3-methyl-4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide is Cc1cc(NS(=O)(=O)c2cccc(F)c2)ccc1-c1cnccc1C.
What is the InChIKey of 3-fluoro-N-[3-methyl-4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide?
The InChIKey is BDKXRNIEXLRBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2S/c1-13-8-9-21-12-19(13)18-7-6-16(10-14(18)2)22-25(23,24)17-5-3-4-15(20)11-17/h3-12,22H,1-2H3.
What are the key properties of 3-fluoro-N-[3-methyl-4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide?
3-fluoro-N-[3-methyl-4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide has a molecular weight of 356.42 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[3-methyl-4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 56651283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).