4-fluoro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide

C11H10FN3O2S — CID 22773298

IUPAC4-fluoro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C11H10FN3O2S/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,1H3,(H,13,14,15)
InChIKeyVDIMUFJJXCMDEQ-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.72
Rot. Bonds3

About 4-fluoro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide

4-fluoro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide (PubChem CID 22773298) has the molecular formula C11H10FN3O2S and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-fluoro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
PubChem CID22773298
Molecular FormulaC11H10FN3O2S
Molecular Weight267.29 g/mol
Exact Mass267.05
IUPAC Name4-fluoro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C11H10FN3O2S/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,1H3,(H,13,14,15)
InChIKeyVDIMUFJJXCMDEQ-UHFFFAOYSA-N
XLogP1.72
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Sulfamethazine
CID 5327
Sulfadiazine
CID 5215
Sulfamerazine
CID 5325
Silver Sulfadiazine
CID 441244
Sulfaperin
CID 68933
Sulfamethazine Sodium
CID 13456556
Acetylsulfadiazine
CID 64952
N4-Acetylsulfamerazine
CID 67181
Sulfadiazine Sodium
CID 15899898
Sulfamerazine Sodium
CID 15899899
2-Benzenesulfonamidopyrimidine
CID 152190
4-((2-Amino-4-pyrimidinyl)amino)benzenesulfonamide
CID 31036

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide (CID 22773298) is 4-fluoro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide is Cc1ccnc(NS(=O)(=O)c2ccc(F)cc2)n1.
What is the InChIKey of 4-fluoro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
The InChIKey is VDIMUFJJXCMDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2S/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,1H3,(H,13,14,15).
What are the key properties of 4-fluoro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
4-fluoro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide has a molecular weight of 267.29 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 22773298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).