2-propan-2-yl-1H-benzimidazole-4-sulfonyl chloride

C10H11ClN2O2S — CID 83825720

IUPAC2-propan-2-yl-1H-benzimidazole-4-sulfonyl chloride
SMILESCC(C)c1nc2c(S(=O)(=O)Cl)cccc2[nH]1
InChIInChI=1S/C10H11ClN2O2S/c1-6(2)10-12-7-4-3-5-8(9(7)13-10)16(11,14)15/h3-6H,1-2H3,(H,12,13)
InChIKeyQVIXWJUBRVQLFN-UHFFFAOYSA-N
MW258.73 g/mol
LogP2.61
Rot. Bonds2

About 2-propan-2-yl-1H-benzimidazole-4-sulfonyl chloride

2-propan-2-yl-1H-benzimidazole-4-sulfonyl chloride (PubChem CID 83825720) has the molecular formula C10H11ClN2O2S and a molecular weight of 258.73 g/mol. Its IUPAC name is 2-propan-2-yl-1H-benzimidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name2-propan-2-yl-1H-benzimidazole-4-sulfonyl chloride
PubChem CID83825720
Molecular FormulaC10H11ClN2O2S
Molecular Weight258.73 g/mol
Exact Mass258.02
IUPAC Name2-propan-2-yl-1H-benzimidazole-4-sulfonyl chloride
SMILESCC(C)c1nc2c(S(=O)(=O)Cl)cccc2[nH]1
InChIInChI=1S/C10H11ClN2O2S/c1-6(2)10-12-7-4-3-5-8(9(7)13-10)16(11,14)15/h3-6H,1-2H3,(H,12,13)
InChIKeyQVIXWJUBRVQLFN-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1H-benzimidazole-4-sulfonyl chloride?
The IUPAC name of 2-propan-2-yl-1H-benzimidazole-4-sulfonyl chloride (CID 83825720) is 2-propan-2-yl-1H-benzimidazole-4-sulfonyl chloride.
What is the SMILES notation for 2-propan-2-yl-1H-benzimidazole-4-sulfonyl chloride?
The canonical SMILES for 2-propan-2-yl-1H-benzimidazole-4-sulfonyl chloride is CC(C)c1nc2c(S(=O)(=O)Cl)cccc2[nH]1.
What is the InChIKey of 2-propan-2-yl-1H-benzimidazole-4-sulfonyl chloride?
The InChIKey is QVIXWJUBRVQLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2S/c1-6(2)10-12-7-4-3-5-8(9(7)13-10)16(11,14)15/h3-6H,1-2H3,(H,12,13).
What are the key properties of 2-propan-2-yl-1H-benzimidazole-4-sulfonyl chloride?
2-propan-2-yl-1H-benzimidazole-4-sulfonyl chloride has a molecular weight of 258.73 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1H-benzimidazole-4-sulfonyl chloride is sourced from PubChem (CID 83825720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).