N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]-2-methylbenzenesulfonamide

C15H17FN2O4S2 — CID 113093138

IUPACN-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1cc(F)ccc1N(C)S(C)(=O)=O
InChIInChI=1S/C15H17FN2O4S2/c1-11-6-4-5-7-15(11)24(21,22)17-13-10-12(16)8-9-14(13)18(2)23(3,19)20/h4-10,17H,1-3H3
InChIKeyYCZWRHJSYBVHHO-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.33
Rot. Bonds5

About N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]-2-methylbenzenesulfonamide

N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]-2-methylbenzenesulfonamide (PubChem CID 113093138) has the molecular formula C15H17FN2O4S2 and a molecular weight of 372.44 g/mol. Its IUPAC name is N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]-2-methylbenzenesulfonamide
PubChem CID113093138
Molecular FormulaC15H17FN2O4S2
Molecular Weight372.44 g/mol
Exact Mass372.06
IUPAC NameN-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1cc(F)ccc1N(C)S(C)(=O)=O
InChIInChI=1S/C15H17FN2O4S2/c1-11-6-4-5-7-15(11)24(21,22)17-13-10-12(16)8-9-14(13)18(2)23(3,19)20/h4-10,17H,1-3H3
InChIKeyYCZWRHJSYBVHHO-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-(dimethylamino)-5-fluorophenyl]-2-methylbenzenesulfonamide
CID 113092579
N-[2-(dimethylamino)phenyl]-2-methylbenzenesulfonamide
CID 63903277
5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 47309539
4-fluoro-3-methyl-N-[2-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide
CID 113093542
N-(5-fluoro-2-methylphenyl)-2-(methylamino)benzenesulfonamide
CID 62142787
N-[2-(methanesulfonamido)phenyl]-2-methylbenzenesulfonamide
CID 113093452
N-[2-(dimethylamino)-5-fluorophenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113092556
N-(2-chlorophenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 47148910
N-(2-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 47308992
2-(aminomethyl)-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 16781852
N-[2-(dimethylamino)-5-fluorophenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113092544
4-[benzyl(methyl)amino]-3-[(5-fluoro-2-methylphenyl)sulfonylamino]benzoic acid
CID 50767070

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]-2-methylbenzenesulfonamide?
The IUPAC name of N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]-2-methylbenzenesulfonamide (CID 113093138) is N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)Nc1cc(F)ccc1N(C)S(C)(=O)=O.
What is the InChIKey of N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]-2-methylbenzenesulfonamide?
The InChIKey is YCZWRHJSYBVHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O4S2/c1-11-6-4-5-7-15(11)24(21,22)17-13-10-12(16)8-9-14(13)18(2)23(3,19)20/h4-10,17H,1-3H3.
What are the key properties of N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]-2-methylbenzenesulfonamide?
N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]-2-methylbenzenesulfonamide 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 N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 113093138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).