5-chloro-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-1-methylimidazole-4-sulfonamide

C17H13ClFN5O2S — CID 42961971

IUPAC5-chloro-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)c1Cl
InChIInChI=1S/C17H13ClFN5O2S/c1-24-9-20-17(15(24)18)27(25,26)23-12-6-7-13-14(8-12)22-16(21-13)10-2-4-11(19)5-3-10/h2-9,23H,1H3,(H,21,22)
InChIKeyFDOFEKXYWWOIEN-UHFFFAOYSA-N
MW405.84 g/mol
LogP3.56
Rot. Bonds4

About 5-chloro-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-1-methylimidazole-4-sulfonamide

5-chloro-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-1-methylimidazole-4-sulfonamide (PubChem CID 42961971) has the molecular formula C17H13ClFN5O2S and a molecular weight of 405.84 g/mol. Its IUPAC name is 5-chloro-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-1-methylimidazole-4-sulfonamide
PubChem CID42961971
Molecular FormulaC17H13ClFN5O2S
Molecular Weight405.84 g/mol
Exact Mass405.05
IUPAC Name5-chloro-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)c1Cl
InChIInChI=1S/C17H13ClFN5O2S/c1-24-9-20-17(15(24)18)27(25,26)23-12-6-7-13-14(8-12)22-16(21-13)10-2-4-11(19)5-3-10/h2-9,23H,1H3,(H,21,22)
InChIKeyFDOFEKXYWWOIEN-UHFFFAOYSA-N
XLogP3.56
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.84
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(3,5-difluorophenyl)-1-methylimidazole-4-sulfonamide
CID 43415229
5-chloro-1-methyl-N-naphthalen-2-ylimidazole-4-sulfonamide
CID 60747502
5-chloro-N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methylimidazole-4-sulfonamide
CID 134006766
5-chloro-N-(2,5-difluorophenyl)-1-methylimidazole-4-sulfonamide
CID 43415175
5-chloro-1-methyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide
CID 43415186
4-methyl-N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 4192275
methyl 2-chloro-5-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]benzoate
CID 134007714
5-chloro-N-(4-ethylsulfonylphenyl)-1-methylimidazole-4-sulfonamide
CID 134006747
5-chloro-1-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide
CID 55589335
5-chloro-1-methyl-N-(4-nitrophenyl)imidazole-4-sulfonamide
CID 43456020
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzenesulfonamide
CID 100580925
5,6-dichloro-2-(4-fluorophenyl)-1H-benzimidazole
CID 4915231

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-1-methylimidazole-4-sulfonamide (CID 42961971) is 5-chloro-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)Nc2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)c1Cl.
What is the InChIKey of 5-chloro-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-1-methylimidazole-4-sulfonamide?
The InChIKey is FDOFEKXYWWOIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN5O2S/c1-24-9-20-17(15(24)18)27(25,26)23-12-6-7-13-14(8-12)22-16(21-13)10-2-4-11(19)5-3-10/h2-9,23H,1H3,(H,21,22).
What are the key properties of 5-chloro-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-1-methylimidazole-4-sulfonamide?
5-chloro-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-1-methylimidazole-4-sulfonamide has a molecular weight of 405.84 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 42961971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).