1-(2-chloro-5-nitrophenyl)sulfonyl-2-methylbenzimidazole

C14H10ClN3O4S — CID 1122738

IUPAC1-(2-chloro-5-nitrophenyl)sulfonyl-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C14H10ClN3O4S/c1-9-16-12-4-2-3-5-13(12)17(9)23(21,22)14-8-10(18(19)20)6-7-11(14)15/h2-8H,1H3
InChIKeyDLUVMRPVZILBOE-UHFFFAOYSA-N
MW351.77 g/mol
LogP3.14
Rot. Bonds3

About 1-(2-chloro-5-nitrophenyl)sulfonyl-2-methylbenzimidazole

1-(2-chloro-5-nitrophenyl)sulfonyl-2-methylbenzimidazole (PubChem CID 1122738) has the molecular formula C14H10ClN3O4S and a molecular weight of 351.77 g/mol. Its IUPAC name is 1-(2-chloro-5-nitrophenyl)sulfonyl-2-methylbenzimidazole.

Molecular Properties

Compound Name1-(2-chloro-5-nitrophenyl)sulfonyl-2-methylbenzimidazole
PubChem CID1122738
Molecular FormulaC14H10ClN3O4S
Molecular Weight351.77 g/mol
Exact Mass351.01
IUPAC Name1-(2-chloro-5-nitrophenyl)sulfonyl-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C14H10ClN3O4S/c1-9-16-12-4-2-3-5-13(12)17(9)23(21,22)14-8-10(18(19)20)6-7-11(14)15/h2-8H,1H3
InChIKeyDLUVMRPVZILBOE-UHFFFAOYSA-N
XLogP3.14
TPSA95.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.77
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

BI6015
CID 3269393
1-((4-Chlorophenyl)sulfonyl)-1H-benzimidazol-2-amine
CID 1088439
1-(Benzenesulfonyl)-5,6-dichloro-2-methyl-4-nitrobenzimidazole
CID 121270030
1-[(3-nitrophenyl)sulfonyl]-1H-benzimidazole
CID 805588
1-(2-chloro-5-nitrobenzenesulfonyl)-1H-1,3-benzodiazole
CID 805589
4-Chloro-1-[(2-methylbenzimidazolyl)sulfonyl]benzene
CID 763279
1-[(2-chloro-5-nitrophenyl)sulfonyl]-2-ethyl-4-methyl-1H-imidazole
CID 839482
4-chloro-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide
CID 934490
1-((4-Nitrophenyl)sulfonyl)-1H-benzimidazol-2-amine
CID 3025945
N-(1H-benzimidazol-2-yl)-3-nitrobenzenesulfonamide
CID 44412321
5,6-Dichloro-1-(3-nitrophenyl)sulfonyl-2-[2-(2-pyridyl)ethyl]benzimidazole
CID 497006
2-(Chloromethyl)-1-(4-chlorophenyl)sulfonylbenzimidazole
CID 76331071

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-nitrophenyl)sulfonyl-2-methylbenzimidazole?
The IUPAC name of 1-(2-chloro-5-nitrophenyl)sulfonyl-2-methylbenzimidazole (CID 1122738) is 1-(2-chloro-5-nitrophenyl)sulfonyl-2-methylbenzimidazole.
What is the SMILES notation for 1-(2-chloro-5-nitrophenyl)sulfonyl-2-methylbenzimidazole?
The canonical SMILES for 1-(2-chloro-5-nitrophenyl)sulfonyl-2-methylbenzimidazole is Cc1nc2ccccc2n1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-nitrophenyl)sulfonyl-2-methylbenzimidazole?
The InChIKey is DLUVMRPVZILBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O4S/c1-9-16-12-4-2-3-5-13(12)17(9)23(21,22)14-8-10(18(19)20)6-7-11(14)15/h2-8H,1H3.
What are the key properties of 1-(2-chloro-5-nitrophenyl)sulfonyl-2-methylbenzimidazole?
1-(2-chloro-5-nitrophenyl)sulfonyl-2-methylbenzimidazole has a molecular weight of 351.77 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-nitrophenyl)sulfonyl-2-methylbenzimidazole is sourced from PubChem (CID 1122738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).