N-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide

C12H11FN2O2S — CID 103862773

IUPACN-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccncc1F
InChIInChI=1S/C12H11FN2O2S/c1-9-4-2-3-5-12(9)18(16,17)15-11-6-7-14-8-10(11)13/h2-8H,1H3,(H,14,15)
InChIKeyWTECGFIODOZFCM-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.33
Rot. Bonds3

About N-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide

N-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide (PubChem CID 103862773) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide
PubChem CID103862773
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC NameN-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccncc1F
InChIInChI=1S/C12H11FN2O2S/c1-9-4-2-3-5-12(9)18(16,17)15-11-6-7-14-8-10(11)13/h2-8H,1H3,(H,14,15)
InChIKeyWTECGFIODOZFCM-UHFFFAOYSA-N
XLogP2.33
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 113340997
4-bromo-N-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide
CID 86796625
5-amino-N-(3-fluoro-4-pyridinyl)-1H-pyrazole-4-sulfonamide
CID 107594731
5-fluoro-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 86768448
N-(2-methylphenyl)isoquinoline-8-sulfonamide
CID 167968996
2-methyl-N-pyrimidin-4-ylbenzenesulfonamide
CID 141412020
N-(3-fluoro-4-pyridinyl)-4-hydroxybenzenesulfonamide
CID 107595237
3-bromo-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 103943790
N-(4-methyl-3-pyridinyl)naphthalene-1-sulfonamide
CID 115685376
2-chloro-N-(3-fluoro-4-pyridinyl)-5-methoxybenzenesulfonamide
CID 75392083
4-amino-2-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63667957
N-(3-fluoro-4-pyridinyl)-4-(propylamino)benzenesulfonamide
CID 107595393

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide?
The IUPAC name of N-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide (CID 103862773) is N-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide?
The canonical SMILES for N-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)Nc1ccncc1F.
What is the InChIKey of N-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide?
The InChIKey is WTECGFIODOZFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c1-9-4-2-3-5-12(9)18(16,17)15-11-6-7-14-8-10(11)13/h2-8H,1H3,(H,14,15).
What are the key properties of N-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide?
N-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide has a molecular weight of 266.30 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 103862773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).