4-fluoro-2-methyl-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide

C15H14FN3O3S — CID 110721851

IUPAC4-fluoro-2-methyl-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1)[nH]c(=O)n2C
InChIInChI=1S/C15H14FN3O3S/c1-9-7-10(16)3-6-14(9)23(21,22)18-11-4-5-13-12(8-11)17-15(20)19(13)2/h3-8,18H,1-2H3,(H,17,20)
InChIKeyVSLVHQVYSCRHGB-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.11
Rot. Bonds3

About 4-fluoro-2-methyl-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide

4-fluoro-2-methyl-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide (PubChem CID 110721851) has the molecular formula C15H14FN3O3S and a molecular weight of 335.36 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide
PubChem CID110721851
Molecular FormulaC15H14FN3O3S
Molecular Weight335.36 g/mol
Exact Mass335.07
IUPAC Name4-fluoro-2-methyl-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1)[nH]c(=O)n2C
InChIInChI=1S/C15H14FN3O3S/c1-9-7-10(16)3-6-14(9)23(21,22)18-11-4-5-13-12(8-11)17-15(20)19(13)2/h3-8,18H,1-2H3,(H,17,20)
InChIKeyVSLVHQVYSCRHGB-UHFFFAOYSA-N
XLogP2.11
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide
CID 71291563
2-cyano-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide
CID 110721904
4-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide
CID 110721833
4-fluoro-2-methyl-N-(1-propan-2-ylbenzimidazol-5-yl)benzenesulfonamide
CID 110779156
5-ethyl-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)thiophene-2-sulfonamide
CID 110721865
3-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide
CID 110721894
5-fluoro-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzenesulfonamide
CID 47062828
N-(4-amino-3-methoxyphenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 43604990
4-fluoro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide
CID 110723750
4-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoic acid
CID 2329150
N-(3-cyano-4-fluorophenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 62317386
N-[3-(aminomethyl)-4-fluorophenyl]-4-fluoro-2-methylbenzenesulfonamide
CID 62315894

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide (CID 110721851) is 4-fluoro-2-methyl-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1)[nH]c(=O)n2C.
What is the InChIKey of 4-fluoro-2-methyl-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide?
The InChIKey is VSLVHQVYSCRHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3S/c1-9-7-10(16)3-6-14(9)23(21,22)18-11-4-5-13-12(8-11)17-15(20)19(13)2/h3-8,18H,1-2H3,(H,17,20).
What are the key properties of 4-fluoro-2-methyl-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide?
4-fluoro-2-methyl-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide has a molecular weight of 335.36 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 110721851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).