4-fluoro-2-methyl-N-pyrimidin-2-ylbenzenesulfonamide

C11H10FN3O2S — CID 110756676

IUPAC4-fluoro-2-methyl-N-pyrimidin-2-ylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ncccn1
InChIInChI=1S/C11H10FN3O2S/c1-8-7-9(12)3-4-10(8)18(16,17)15-11-13-5-2-6-14-11/h2-7H,1H3,(H,13,14,15)
InChIKeyMPUORFUKDLTGJO-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.72
Rot. Bonds3

About 4-fluoro-2-methyl-N-pyrimidin-2-ylbenzenesulfonamide

4-fluoro-2-methyl-N-pyrimidin-2-ylbenzenesulfonamide (PubChem CID 110756676) has the molecular formula C11H10FN3O2S and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-pyrimidin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-pyrimidin-2-ylbenzenesulfonamide
PubChem CID110756676
Molecular FormulaC11H10FN3O2S
Molecular Weight267.29 g/mol
Exact Mass267.05
IUPAC Name4-fluoro-2-methyl-N-pyrimidin-2-ylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ncccn1
InChIInChI=1S/C11H10FN3O2S/c1-8-7-9(12)3-4-10(8)18(16,17)15-11-13-5-2-6-14-11/h2-7H,1H3,(H,13,14,15)
InChIKeyMPUORFUKDLTGJO-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

2,5-difluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 6465175
N-(2-bromo-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 103816057
4-fluoro-2-methyl-N-quinolin-5-ylbenzenesulfonamide
CID 110734015
4-fluoro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide
CID 110723750
N-(5-ethyl-1H-pyrazol-3-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 112699331
2,4-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 19683803
2-(3-aminoprop-1-ynyl)-4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 60845361
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-pyrimidin-2-ylbenzenesulfonamide
CID 60844745
4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 669150
4-fluoro-N-(6-methoxyquinolin-8-yl)-2-methylbenzenesulfonamide
CID 110715545
4-fluoro-2-methyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide
CID 24656443
N-(2-chlorophenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 47148910

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-pyrimidin-2-ylbenzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-pyrimidin-2-ylbenzenesulfonamide (CID 110756676) is 4-fluoro-2-methyl-N-pyrimidin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-pyrimidin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-pyrimidin-2-ylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)Nc1ncccn1.
What is the InChIKey of 4-fluoro-2-methyl-N-pyrimidin-2-ylbenzenesulfonamide?
The InChIKey is MPUORFUKDLTGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2S/c1-8-7-9(12)3-4-10(8)18(16,17)15-11-13-5-2-6-14-11/h2-7H,1H3,(H,13,14,15).
What are the key properties of 4-fluoro-2-methyl-N-pyrimidin-2-ylbenzenesulfonamide?
4-fluoro-2-methyl-N-pyrimidin-2-ylbenzenesulfonamide 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-2-methyl-N-pyrimidin-2-ylbenzenesulfonamide is sourced from PubChem (CID 110756676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).