N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-fluoro-3-methylbenzenesulfonamide

C23H23FN4O3S — CID 15990284

IUPACN-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cc3c(cc2NCc2ccccc2)n(C)c(=O)n3C)ccc1F
InChIInChI=1S/C23H23FN4O3S/c1-15-11-17(9-10-18(15)24)32(30,31)26-20-13-22-21(27(2)23(29)28(22)3)12-19(20)25-14-16-7-5-4-6-8-16/h4-13,25-26H,14H2,1-3H3
InChIKeyRBZWONSEYSWYCU-UHFFFAOYSA-N
MW454.53 g/mol
LogP3.74
Rot. Bonds6

About N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-fluoro-3-methylbenzenesulfonamide

N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-fluoro-3-methylbenzenesulfonamide (PubChem CID 15990284) has the molecular formula C23H23FN4O3S and a molecular weight of 454.53 g/mol. Its IUPAC name is N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-fluoro-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-fluoro-3-methylbenzenesulfonamide
PubChem CID15990284
Molecular FormulaC23H23FN4O3S
Molecular Weight454.53 g/mol
Exact Mass454.15
IUPAC NameN-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cc3c(cc2NCc2ccccc2)n(C)c(=O)n3C)ccc1F
InChIInChI=1S/C23H23FN4O3S/c1-15-11-17(9-10-18(15)24)32(30,31)26-20-13-22-21(27(2)23(29)28(22)3)12-19(20)25-14-16-7-5-4-6-8-16/h4-13,25-26H,14H2,1-3H3
InChIKeyRBZWONSEYSWYCU-UHFFFAOYSA-N
XLogP3.74
TPSA85.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,4-dimethylbenzenesulfonamide
CID 1253361
N-(6-Dimethylamino-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzoimidazol-5-yl)-benzenesulfonamide
CID 2979626
2,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
CID 7997824
1-Naphthalen-2-ylsulfonyl-3-(1,2,3,6-tetrahydropyridin-4-yl)benzimidazol-2-one
CID 11350253
4-Ethyl-N-(1,3,6-trimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL)benzene-1-sulfonamide
CID 20962015
6-anilino-3-[(2,6-difluorophenyl)methyl]-1H-benzimidazol-2-one
CID 21937728
N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 39886452
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-4-fluorobenzenesulfonamide
CID 1249871
4-tert-butyl-N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)benzenesulfonamide
CID 1251510
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-5,6,7,8-tetrahydro-2-naphthalenesulfonamide
CID 2972356
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-4-methylbenzenesulfonamide
CID 2972934
N-[4-(1,3-Dimethyl-2-oxo-2,3-dihydro-1H-benzoimidazol-5-ylsulfamoyl)-3-methyl-phenyl]-acetamide
CID 3163517

Frequently Asked Questions

What is the IUPAC name of N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-fluoro-3-methylbenzenesulfonamide?
The IUPAC name of N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-fluoro-3-methylbenzenesulfonamide (CID 15990284) is N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-fluoro-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-fluoro-3-methylbenzenesulfonamide?
The canonical SMILES for N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-fluoro-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2cc3c(cc2NCc2ccccc2)n(C)c(=O)n3C)ccc1F.
What is the InChIKey of N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-fluoro-3-methylbenzenesulfonamide?
The InChIKey is RBZWONSEYSWYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O3S/c1-15-11-17(9-10-18(15)24)32(30,31)26-20-13-22-21(27(2)23(29)28(22)3)12-19(20)25-14-16-7-5-4-6-8-16/h4-13,25-26H,14H2,1-3H3.
What are the key properties of N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-fluoro-3-methylbenzenesulfonamide?
N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-fluoro-3-methylbenzenesulfonamide has a molecular weight of 454.53 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-fluoro-3-methylbenzenesulfonamide is sourced from PubChem (CID 15990284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).