N-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-4-fluoro-3-methylbenzenesulfonamide

C17H19FN2O4S2 — CID 113093646

IUPACN-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-4-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccccc2N(C2CC2)S(C)(=O)=O)ccc1F
InChIInChI=1S/C17H19FN2O4S2/c1-12-11-14(9-10-15(12)18)26(23,24)19-16-5-3-4-6-17(16)20(13-7-8-13)25(2,21)22/h3-6,9-11,13,19H,7-8H2,1-2H3
InChIKeyCLJAACBXONLRNR-UHFFFAOYSA-N
MW398.48 g/mol
LogP2.86
Rot. Bonds6

About N-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-4-fluoro-3-methylbenzenesulfonamide

N-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-4-fluoro-3-methylbenzenesulfonamide (PubChem CID 113093646) has the molecular formula C17H19FN2O4S2 and a molecular weight of 398.48 g/mol. Its IUPAC name is N-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-4-fluoro-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-4-fluoro-3-methylbenzenesulfonamide
PubChem CID113093646
Molecular FormulaC17H19FN2O4S2
Molecular Weight398.48 g/mol
Exact Mass398.08
IUPAC NameN-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-4-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccccc2N(C2CC2)S(C)(=O)=O)ccc1F
InChIInChI=1S/C17H19FN2O4S2/c1-12-11-14(9-10-15(12)18)26(23,24)19-16-5-3-4-6-17(16)20(13-7-8-13)25(2,21)22/h3-6,9-11,13,19H,7-8H2,1-2H3
InChIKeyCLJAACBXONLRNR-UHFFFAOYSA-N
XLogP2.86
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-3-methylbenzenesulfonamide
CID 113093650
4-fluoro-3-methyl-N-[2-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide
CID 113093542
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119553054
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 133189831
N-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]acetamide
CID 113093569
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-[2-(dimethylamino)-5-fluorophenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113092544
N-(cyclopropylmethyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-propylbenzamide
CID 112812922
4-fluoro-3-methyl-N-(2-methylquinolin-8-yl)benzenesulfonamide
CID 110734172
N-[4-(cyclopentylamino)phenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 112980658

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-4-fluoro-3-methylbenzenesulfonamide?
The IUPAC name of N-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-4-fluoro-3-methylbenzenesulfonamide (CID 113093646) is N-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-4-fluoro-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-4-fluoro-3-methylbenzenesulfonamide?
The canonical SMILES for N-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-4-fluoro-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccccc2N(C2CC2)S(C)(=O)=O)ccc1F.
What is the InChIKey of N-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-4-fluoro-3-methylbenzenesulfonamide?
The InChIKey is CLJAACBXONLRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4S2/c1-12-11-14(9-10-15(12)18)26(23,24)19-16-5-3-4-6-17(16)20(13-7-8-13)25(2,21)22/h3-6,9-11,13,19H,7-8H2,1-2H3.
What are the key properties of N-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-4-fluoro-3-methylbenzenesulfonamide?
N-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-4-fluoro-3-methylbenzenesulfonamide has a molecular weight of 398.48 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-4-fluoro-3-methylbenzenesulfonamide is sourced from PubChem (CID 113093646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).