6-chloro-2-propyl-3H-benzimidazole-5-sulfonamide

C10H12ClN3O2S — CID 13289697

IUPAC6-chloro-2-propyl-3H-benzimidazole-5-sulfonamide
SMILESCCCc1nc2cc(Cl)c(S(N)(=O)=O)cc2[nH]1
InChIInChI=1S/C10H12ClN3O2S/c1-2-3-10-13-7-4-6(11)9(17(12,15)16)5-8(7)14-10/h4-5H,2-3H2,1H3,(H,13,14)(H2,12,15,16)
InChIKeyUZDMWGMNUHWOGB-UHFFFAOYSA-N
MW273.75 g/mol
LogP1.82
Rot. Bonds3

About 6-chloro-2-propyl-3H-benzimidazole-5-sulfonamide

6-chloro-2-propyl-3H-benzimidazole-5-sulfonamide (PubChem CID 13289697) has the molecular formula C10H12ClN3O2S and a molecular weight of 273.75 g/mol. Its IUPAC name is 6-chloro-2-propyl-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-2-propyl-3H-benzimidazole-5-sulfonamide
PubChem CID13289697
Molecular FormulaC10H12ClN3O2S
Molecular Weight273.75 g/mol
Exact Mass273.03
IUPAC Name6-chloro-2-propyl-3H-benzimidazole-5-sulfonamide
SMILESCCCc1nc2cc(Cl)c(S(N)(=O)=O)cc2[nH]1
InChIInChI=1S/C10H12ClN3O2S/c1-2-3-10-13-7-4-6(11)9(17(12,15)16)5-8(7)14-10/h4-5H,2-3H2,1H3,(H,13,14)(H2,12,15,16)
InChIKeyUZDMWGMNUHWOGB-UHFFFAOYSA-N
XLogP1.82
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.75
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-propyl-3H-benzimidazole-5-sulfonamide?
The IUPAC name of 6-chloro-2-propyl-3H-benzimidazole-5-sulfonamide (CID 13289697) is 6-chloro-2-propyl-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-2-propyl-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for 6-chloro-2-propyl-3H-benzimidazole-5-sulfonamide is CCCc1nc2cc(Cl)c(S(N)(=O)=O)cc2[nH]1.
What is the InChIKey of 6-chloro-2-propyl-3H-benzimidazole-5-sulfonamide?
The InChIKey is UZDMWGMNUHWOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2S/c1-2-3-10-13-7-4-6(11)9(17(12,15)16)5-8(7)14-10/h4-5H,2-3H2,1H3,(H,13,14)(H2,12,15,16).
What are the key properties of 6-chloro-2-propyl-3H-benzimidazole-5-sulfonamide?
6-chloro-2-propyl-3H-benzimidazole-5-sulfonamide has a molecular weight of 273.75 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-propyl-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 13289697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).