N-(2-chlorophenyl)-3-(4-nitro-1H-benzimidazol-2-yl)benzenesulfonamide

C19H13ClN4O4S — CID 142088863

IUPACN-(2-chlorophenyl)-3-(4-nitro-1H-benzimidazol-2-yl)benzenesulfonamide
SMILESO=[N+]([O-])c1cccc2[nH]c(-c3cccc(S(=O)(=O)Nc4ccccc4Cl)c3)nc12
InChIInChI=1S/C19H13ClN4O4S/c20-14-7-1-2-8-15(14)23-29(27,28)13-6-3-5-12(11-13)19-21-16-9-4-10-17(24(25)26)18(16)22-19/h1-11,23H,(H,21,22)
InChIKeyGERBGRRAUZOAPS-UHFFFAOYSA-N
MW428.86 g/mol
LogP4.59
Rot. Bonds5

About N-(2-chlorophenyl)-3-(4-nitro-1H-benzimidazol-2-yl)benzenesulfonamide

N-(2-chlorophenyl)-3-(4-nitro-1H-benzimidazol-2-yl)benzenesulfonamide (PubChem CID 142088863) has the molecular formula C19H13ClN4O4S and a molecular weight of 428.86 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-(4-nitro-1H-benzimidazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-(4-nitro-1H-benzimidazol-2-yl)benzenesulfonamide
PubChem CID142088863
Molecular FormulaC19H13ClN4O4S
Molecular Weight428.86 g/mol
Exact Mass428.03
IUPAC NameN-(2-chlorophenyl)-3-(4-nitro-1H-benzimidazol-2-yl)benzenesulfonamide
SMILESO=[N+]([O-])c1cccc2[nH]c(-c3cccc(S(=O)(=O)Nc4ccccc4Cl)c3)nc12
InChIInChI=1S/C19H13ClN4O4S/c20-14-7-1-2-8-15(14)23-29(27,28)13-6-3-5-12(11-13)19-21-16-9-4-10-17(24(25)26)18(16)22-19/h1-11,23H,(H,21,22)
InChIKeyGERBGRRAUZOAPS-UHFFFAOYSA-N
XLogP4.59
TPSA117.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.86
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-nitro-2-phenyl-1H-benzimidazole
CID 3495719
N-(2-chlorophenyl)-4-(cyclopropylamino)-3-nitrobenzenesulfonamide
CID 4782863
N-(2-chlorophenyl)-4-methoxy-3-nitrobenzenesulfonamide
CID 3964142
N-(2-chlorophenyl)-2-(6-methyl-2-pyridinyl)-3H-benzimidazole-5-sulfonamide
CID 70573433
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-methyl-3-nitrobenzamide
CID 26593187
2-chloro-N-(2-nitrophenyl)pyridine-4-sulfonamide
CID 61051817
N-(2-nitrophenyl)naphthalene-2-sulfonamide
CID 19203612
N-(2,3-dichlorophenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 3322444
methyl 4-(4-nitro-1H-benzimidazol-2-yl)benzoate
CID 4915276
3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-N-(2-chlorophenyl)benzenesulfonamide
CID 167783590
4-chloro-N-(2-methylphenyl)-3-nitrobenzenesulfonamide
CID 7593889
3-[(2-chlorophenyl)sulfamoyl]-N-(4-methyl-3-nitrophenyl)benzamide
CID 39265874

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-(4-nitro-1H-benzimidazol-2-yl)benzenesulfonamide?
The IUPAC name of N-(2-chlorophenyl)-3-(4-nitro-1H-benzimidazol-2-yl)benzenesulfonamide (CID 142088863) is N-(2-chlorophenyl)-3-(4-nitro-1H-benzimidazol-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-(4-nitro-1H-benzimidazol-2-yl)benzenesulfonamide?
The canonical SMILES for N-(2-chlorophenyl)-3-(4-nitro-1H-benzimidazol-2-yl)benzenesulfonamide is O=[N+]([O-])c1cccc2[nH]c(-c3cccc(S(=O)(=O)Nc4ccccc4Cl)c3)nc12.
What is the InChIKey of N-(2-chlorophenyl)-3-(4-nitro-1H-benzimidazol-2-yl)benzenesulfonamide?
The InChIKey is GERBGRRAUZOAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O4S/c20-14-7-1-2-8-15(14)23-29(27,28)13-6-3-5-12(11-13)19-21-16-9-4-10-17(24(25)26)18(16)22-19/h1-11,23H,(H,21,22).
What are the key properties of N-(2-chlorophenyl)-3-(4-nitro-1H-benzimidazol-2-yl)benzenesulfonamide?
N-(2-chlorophenyl)-3-(4-nitro-1H-benzimidazol-2-yl)benzenesulfonamide has a molecular weight of 428.86 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-(4-nitro-1H-benzimidazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 142088863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).