4-fluoro-3-methyl-N-[2-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide

C15H17FN2O4S2 — CID 113093542

IUPAC4-fluoro-3-methyl-N-[2-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccccc2N(C)S(C)(=O)=O)ccc1F
InChIInChI=1S/C15H17FN2O4S2/c1-11-10-12(8-9-13(11)16)24(21,22)17-14-6-4-5-7-15(14)18(2)23(3,19)20/h4-10,17H,1-3H3
InChIKeyHPICJMQACXVJMP-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.33
Rot. Bonds5

About 4-fluoro-3-methyl-N-[2-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide

4-fluoro-3-methyl-N-[2-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide (PubChem CID 113093542) has the molecular formula C15H17FN2O4S2 and a molecular weight of 372.44 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[2-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[2-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide
PubChem CID113093542
Molecular FormulaC15H17FN2O4S2
Molecular Weight372.44 g/mol
Exact Mass372.06
IUPAC Name4-fluoro-3-methyl-N-[2-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccccc2N(C)S(C)(=O)=O)ccc1F
InChIInChI=1S/C15H17FN2O4S2/c1-11-10-12(8-9-13(11)16)24(21,22)17-14-6-4-5-7-15(14)18(2)23(3,19)20/h4-10,17H,1-3H3
InChIKeyHPICJMQACXVJMP-UHFFFAOYSA-N
XLogP2.33
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113093646
N-[2-[methyl(methylsulfonyl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113093539
N-[2-[methyl(methylsulfonyl)amino]phenyl]-1,3-benzodioxole-5-sulfonamide
CID 113093547
N-[2-(dimethylamino)-5-fluorophenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113092544
N-(3-chloro-2-methylphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 1256135
N-(2-fluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 17377370
N-(2,6-dimethylphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 56737871
N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]-2-methylbenzenesulfonamide
CID 113093138
4-fluoro-3-methyl-N-(2-methylquinolin-8-yl)benzenesulfonamide
CID 110734172
4-fluoro-N-[6-(2-fluoroanilino)pyridazin-3-yl]-3-methylbenzenesulfonamide
CID 113047218
N-(5-chloro-2-hydroxyphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 701142
N-(2-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 40727137

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-[2-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-[2-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide (CID 113093542) is 4-fluoro-3-methyl-N-[2-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-[2-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-[2-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccccc2N(C)S(C)(=O)=O)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-[2-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide?
The InChIKey is HPICJMQACXVJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O4S2/c1-11-10-12(8-9-13(11)16)24(21,22)17-14-6-4-5-7-15(14)18(2)23(3,19)20/h4-10,17H,1-3H3.
What are the key properties of 4-fluoro-3-methyl-N-[2-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide?
4-fluoro-3-methyl-N-[2-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide has a molecular weight of 372.44 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-[2-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide is sourced from PubChem (CID 113093542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).