4-chloro-N-[(6-nitro-1H-benzimidazol-2-yl)methyl]benzenesulfonamide

C14H11ClN4O4S — CID 30160086

IUPAC4-chloro-N-[(6-nitro-1H-benzimidazol-2-yl)methyl]benzenesulfonamide
SMILESO=[N+]([O-])c1ccc2nc(CNS(=O)(=O)c3ccc(Cl)cc3)[nH]c2c1
InChIInChI=1S/C14H11ClN4O4S/c15-9-1-4-11(5-2-9)24(22,23)16-8-14-17-12-6-3-10(19(20)21)7-13(12)18-14/h1-7,16H,8H2,(H,17,18)
InChIKeyKBZAYWCEUIAVED-UHFFFAOYSA-N
MW366.79 g/mol
LogP2.60
Rot. Bonds5

About 4-chloro-N-[(6-nitro-1H-benzimidazol-2-yl)methyl]benzenesulfonamide

4-chloro-N-[(6-nitro-1H-benzimidazol-2-yl)methyl]benzenesulfonamide (PubChem CID 30160086) has the molecular formula C14H11ClN4O4S and a molecular weight of 366.79 g/mol. Its IUPAC name is 4-chloro-N-[(6-nitro-1H-benzimidazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(6-nitro-1H-benzimidazol-2-yl)methyl]benzenesulfonamide
PubChem CID30160086
Molecular FormulaC14H11ClN4O4S
Molecular Weight366.79 g/mol
Exact Mass366.02
IUPAC Name4-chloro-N-[(6-nitro-1H-benzimidazol-2-yl)methyl]benzenesulfonamide
SMILESO=[N+]([O-])c1ccc2nc(CNS(=O)(=O)c3ccc(Cl)cc3)[nH]c2c1
InChIInChI=1S/C14H11ClN4O4S/c15-9-1-4-11(5-2-9)24(22,23)16-8-14-17-12-6-3-10(19(20)21)7-13(12)18-14/h1-7,16H,8H2,(H,17,18)
InChIKeyKBZAYWCEUIAVED-UHFFFAOYSA-N
XLogP2.60
TPSA117.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.79
LogP ≤ 52.60
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

N-[(6-nitro-1H-benzimidazol-2-yl)methyl]benzenesulfonamide
CID 30160078
2-(iodomethyl)-6-nitro-1H-benzimidazole
CID 119085279
(6-nitro-1H-benzimidazol-2-yl)methanamine
CID 30159791
CID 145237934
CID 145237934
N-(1H-benzimidazol-2-ylmethyl)-3,4-difluorobenzenesulfonamide
CID 6736481
N-[(2,4-dichlorophenyl)methyl]-4-nitrobenzenesulfonamide
CID 1260783
2-chloro-6-nitro-1H-benzimidazole;ethane
CID 144800712
N-(1H-benzimidazol-2-ylmethyl)-4-tert-butylbenzenesulfonamide
CID 110711606
6-nitro-2-undecyl-1H-benzimidazole
CID 163965028
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-nitrobenzenesulfonamide
CID 110711936
4-(6-nitro-1H-benzimidazol-2-yl)butanoic acid
CID 1093223
ethane;2-methyl-6-nitro-1H-benzimidazole
CID 90798805

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(6-nitro-1H-benzimidazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(6-nitro-1H-benzimidazol-2-yl)methyl]benzenesulfonamide (CID 30160086) is 4-chloro-N-[(6-nitro-1H-benzimidazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(6-nitro-1H-benzimidazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(6-nitro-1H-benzimidazol-2-yl)methyl]benzenesulfonamide is O=[N+]([O-])c1ccc2nc(CNS(=O)(=O)c3ccc(Cl)cc3)[nH]c2c1.
What is the InChIKey of 4-chloro-N-[(6-nitro-1H-benzimidazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is KBZAYWCEUIAVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O4S/c15-9-1-4-11(5-2-9)24(22,23)16-8-14-17-12-6-3-10(19(20)21)7-13(12)18-14/h1-7,16H,8H2,(H,17,18).
What are the key properties of 4-chloro-N-[(6-nitro-1H-benzimidazol-2-yl)methyl]benzenesulfonamide?
4-chloro-N-[(6-nitro-1H-benzimidazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 366.79 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(6-nitro-1H-benzimidazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 30160086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).