2-(3H-benzimidazol-5-yl)propane-2-sulfonyl chloride

C10H11ClN2O2S — CID 116866400

IUPAC2-(3H-benzimidazol-5-yl)propane-2-sulfonyl chloride
SMILESCC(C)(c1ccc2nc[nH]c2c1)S(=O)(=O)Cl
InChIInChI=1S/C10H11ClN2O2S/c1-10(2,16(11,14)15)7-3-4-8-9(5-7)13-6-12-8/h3-6H,1-2H3,(H,12,13)
InChIKeyCVXFOEUTNSKRKM-UHFFFAOYSA-N
MW258.73 g/mol
LogP2.37
Rot. Bonds2

About 2-(3H-benzimidazol-5-yl)propane-2-sulfonyl chloride

2-(3H-benzimidazol-5-yl)propane-2-sulfonyl chloride (PubChem CID 116866400) has the molecular formula C10H11ClN2O2S and a molecular weight of 258.73 g/mol. Its IUPAC name is 2-(3H-benzimidazol-5-yl)propane-2-sulfonyl chloride.

Molecular Properties

Compound Name2-(3H-benzimidazol-5-yl)propane-2-sulfonyl chloride
PubChem CID116866400
Molecular FormulaC10H11ClN2O2S
Molecular Weight258.73 g/mol
Exact Mass258.02
IUPAC Name2-(3H-benzimidazol-5-yl)propane-2-sulfonyl chloride
SMILESCC(C)(c1ccc2nc[nH]c2c1)S(=O)(=O)Cl
InChIInChI=1S/C10H11ClN2O2S/c1-10(2,16(11,14)15)7-3-4-8-9(5-7)13-6-12-8/h3-6H,1-2H3,(H,12,13)
InChIKeyCVXFOEUTNSKRKM-UHFFFAOYSA-N
XLogP2.37
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.73
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3H-benzimidazol-5-yl)-4-tert-butylbenzenesulfonamide
CID 110724410
6-[cyclopropyl(difluoro)methyl]-1H-benzimidazole
CID 116841726
2-(3H-benzimidazol-5-ylsulfonyl)-2-methylpropan-1-amine
CID 116855215
N,N-dimethyl-3H-benzimidazole-5-sulfonamide
CID 68763718
N-[2-(3H-benzimidazol-5-yl)-2-methylpropyl]-2-hydroxyacetamide
CID 115140312
6-(4-methylsulfonylphenyl)-1H-benzimidazole
CID 39830614
N'-[2-(3H-benzimidazol-5-yl)-2-methylpropyl]ethane-1,2-diamine
CID 115195641
potassium;3H-benzimidazole-5-sulfonic acid;hydride
CID 173083213
6-(2,2-dimethylpropyl)-1H-benzimidazole
CID 58236536
6-(1-tert-butylcyclopropyl)-1H-benzimidazole
CID 118329254
3H-benzimidazol-5-yl-dimethyl-sulfanyl-λ4-sulfane
CID 91169842
amino 3H-benzimidazole-5-sulfonate
CID 57129072

Frequently Asked Questions

What is the IUPAC name of 2-(3H-benzimidazol-5-yl)propane-2-sulfonyl chloride?
The IUPAC name of 2-(3H-benzimidazol-5-yl)propane-2-sulfonyl chloride (CID 116866400) is 2-(3H-benzimidazol-5-yl)propane-2-sulfonyl chloride.
What is the SMILES notation for 2-(3H-benzimidazol-5-yl)propane-2-sulfonyl chloride?
The canonical SMILES for 2-(3H-benzimidazol-5-yl)propane-2-sulfonyl chloride is CC(C)(c1ccc2nc[nH]c2c1)S(=O)(=O)Cl.
What is the InChIKey of 2-(3H-benzimidazol-5-yl)propane-2-sulfonyl chloride?
The InChIKey is CVXFOEUTNSKRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2S/c1-10(2,16(11,14)15)7-3-4-8-9(5-7)13-6-12-8/h3-6H,1-2H3,(H,12,13).
What are the key properties of 2-(3H-benzimidazol-5-yl)propane-2-sulfonyl chloride?
2-(3H-benzimidazol-5-yl)propane-2-sulfonyl chloride has a molecular weight of 258.73 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-benzimidazol-5-yl)propane-2-sulfonyl chloride is sourced from PubChem (CID 116866400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).