4-fluoro-2-methyl-N-(1-propan-2-ylbenzimidazol-5-yl)benzenesulfonamide

C17H18FN3O2S — CID 110779156

IUPAC4-fluoro-2-methyl-N-(1-propan-2-ylbenzimidazol-5-yl)benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1)ncn2C(C)C
InChIInChI=1S/C17H18FN3O2S/c1-11(2)21-10-19-15-9-14(5-6-16(15)21)20-24(22,23)17-7-4-13(18)8-12(17)3/h4-11,20H,1-3H3
InChIKeyIRZOAHSKZLBBHK-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.87
Rot. Bonds4

About 4-fluoro-2-methyl-N-(1-propan-2-ylbenzimidazol-5-yl)benzenesulfonamide

4-fluoro-2-methyl-N-(1-propan-2-ylbenzimidazol-5-yl)benzenesulfonamide (PubChem CID 110779156) has the molecular formula C17H18FN3O2S and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-(1-propan-2-ylbenzimidazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-(1-propan-2-ylbenzimidazol-5-yl)benzenesulfonamide
PubChem CID110779156
Molecular FormulaC17H18FN3O2S
Molecular Weight347.42 g/mol
Exact Mass347.11
IUPAC Name4-fluoro-2-methyl-N-(1-propan-2-ylbenzimidazol-5-yl)benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1)ncn2C(C)C
InChIInChI=1S/C17H18FN3O2S/c1-11(2)21-10-19-15-9-14(5-6-16(15)21)20-24(22,23)17-7-4-13(18)8-12(17)3/h4-11,20H,1-3H3
InChIKeyIRZOAHSKZLBBHK-UHFFFAOYSA-N
XLogP3.87
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-propan-2-ylbenzimidazol-5-yl)methanesulfonamide
CID 110779145
4-fluoro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide
CID 110723750
3,5-dimethyl-N-(1-propan-2-ylbenzimidazol-5-yl)-1,2-oxazole-4-sulfonamide
CID 110779168
4-fluoro-2-methyl-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide
CID 110721851
4-fluoro-2-methyl-N-[6-(2-methylpropylamino)-3-pyridinyl]benzenesulfonamide
CID 113009667
4-methoxy-2-methyl-N-(1-methylbenzimidazol-5-yl)benzenesulfonamide
CID 110728593
2-phenyl-N-(1-propan-2-ylbenzimidazol-5-yl)ethanesulfonamide
CID 110779166
4-fluoro-N-[3-(1-hydroxyethyl)phenyl]-2-methylbenzenesulfonamide
CID 43508631
N-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 104826706
N-(5-bromo-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 110869047
4-fluoro-2-methyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756676
4-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoic acid
CID 2329150

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-(1-propan-2-ylbenzimidazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-(1-propan-2-ylbenzimidazol-5-yl)benzenesulfonamide (CID 110779156) is 4-fluoro-2-methyl-N-(1-propan-2-ylbenzimidazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-(1-propan-2-ylbenzimidazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-(1-propan-2-ylbenzimidazol-5-yl)benzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1)ncn2C(C)C.
What is the InChIKey of 4-fluoro-2-methyl-N-(1-propan-2-ylbenzimidazol-5-yl)benzenesulfonamide?
The InChIKey is IRZOAHSKZLBBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2S/c1-11(2)21-10-19-15-9-14(5-6-16(15)21)20-24(22,23)17-7-4-13(18)8-12(17)3/h4-11,20H,1-3H3.
What are the key properties of 4-fluoro-2-methyl-N-(1-propan-2-ylbenzimidazol-5-yl)benzenesulfonamide?
4-fluoro-2-methyl-N-(1-propan-2-ylbenzimidazol-5-yl)benzenesulfonamide has a molecular weight of 347.42 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-(1-propan-2-ylbenzimidazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 110779156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).