N-(1H-benzimidazol-2-yl)-3-chloro-2-methylpropane-1-sulfonamide

C11H14ClN3O2S — CID 79586327

IUPACN-(1H-benzimidazol-2-yl)-3-chloro-2-methylpropane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C11H14ClN3O2S/c1-8(6-12)7-18(16,17)15-11-13-9-4-2-3-5-10(9)14-11/h2-5,8H,6-7H2,1H3,(H2,13,14,15)
InChIKeyHCDMIDRFOZUVPP-UHFFFAOYSA-N
MW287.77 g/mol
LogP2.18
Rot. Bonds5

About N-(1H-benzimidazol-2-yl)-3-chloro-2-methylpropane-1-sulfonamide

N-(1H-benzimidazol-2-yl)-3-chloro-2-methylpropane-1-sulfonamide (PubChem CID 79586327) has the molecular formula C11H14ClN3O2S and a molecular weight of 287.77 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-3-chloro-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-3-chloro-2-methylpropane-1-sulfonamide
PubChem CID79586327
Molecular FormulaC11H14ClN3O2S
Molecular Weight287.77 g/mol
Exact Mass287.05
IUPAC NameN-(1H-benzimidazol-2-yl)-3-chloro-2-methylpropane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C11H14ClN3O2S/c1-8(6-12)7-18(16,17)15-11-13-9-4-2-3-5-10(9)14-11/h2-5,8H,6-7H2,1H3,(H2,13,14,15)
InChIKeyHCDMIDRFOZUVPP-UHFFFAOYSA-N
XLogP2.18
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(1H-benzimidazol-2-yl)propane-1-sulfonamide
CID 63564270
N-(1H-benzimidazol-2-yl)-2-(methylamino)ethanesulfonamide
CID 63562812
N-(1H-benzimidazol-2-yl)-2-ethoxyethanesulfonamide
CID 63564272
3-chloro-2-methyl-N-(2-methyl-3H-benzimidazol-5-yl)propane-1-sulfonamide
CID 79586209
3-chloro-N-(1H-imidazol-2-yl)-2-methylpropane-1-sulfonamide
CID 79586328
1H-benzimidazol-2-ylsulfamic acid
CID 59847917
N-(1H-benzimidazol-2-yl)-1-(4-fluorophenyl)methanesulfonamide
CID 63564268
N-(1H-benzimidazol-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058649
N-(1H-benzimidazol-2-yl)-1,1,1-trifluoromethanesulfonamide
CID 55213553
3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methylpropane-1-sulfonamide
CID 107858868
(2R)-1-(1H-benzimidazol-2-ylamino)propan-2-ol
CID 2392362
3-chloro-2-methyl-N-(2-methylpyrazol-3-yl)propane-1-sulfonamide
CID 79585965

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-3-chloro-2-methylpropane-1-sulfonamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-3-chloro-2-methylpropane-1-sulfonamide (CID 79586327) is N-(1H-benzimidazol-2-yl)-3-chloro-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-3-chloro-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-3-chloro-2-methylpropane-1-sulfonamide is CC(CCl)CS(=O)(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-3-chloro-2-methylpropane-1-sulfonamide?
The InChIKey is HCDMIDRFOZUVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2S/c1-8(6-12)7-18(16,17)15-11-13-9-4-2-3-5-10(9)14-11/h2-5,8H,6-7H2,1H3,(H2,13,14,15).
What are the key properties of N-(1H-benzimidazol-2-yl)-3-chloro-2-methylpropane-1-sulfonamide?
N-(1H-benzimidazol-2-yl)-3-chloro-2-methylpropane-1-sulfonamide has a molecular weight of 287.77 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-3-chloro-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 79586327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).