N-(3H-benzimidazol-5-yl)-2-chloro-N-methylbenzenesulfonamide

C14H12ClN3O2S — CID 110869267

IUPACN-(3H-benzimidazol-5-yl)-2-chloro-N-methylbenzenesulfonamide
SMILESCN(c1ccc2nc[nH]c2c1)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C14H12ClN3O2S/c1-18(10-6-7-12-13(8-10)17-9-16-12)21(19,20)14-5-3-2-4-11(14)15/h2-9H,1H3,(H,16,17)
InChIKeyVGOXDPBLBABFAE-UHFFFAOYSA-N
MW321.79 g/mol
LogP3.04
Rot. Bonds3

About N-(3H-benzimidazol-5-yl)-2-chloro-N-methylbenzenesulfonamide

N-(3H-benzimidazol-5-yl)-2-chloro-N-methylbenzenesulfonamide (PubChem CID 110869267) has the molecular formula C14H12ClN3O2S and a molecular weight of 321.79 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-yl)-2-chloro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-yl)-2-chloro-N-methylbenzenesulfonamide
PubChem CID110869267
Molecular FormulaC14H12ClN3O2S
Molecular Weight321.79 g/mol
Exact Mass321.03
IUPAC NameN-(3H-benzimidazol-5-yl)-2-chloro-N-methylbenzenesulfonamide
SMILESCN(c1ccc2nc[nH]c2c1)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C14H12ClN3O2S/c1-18(10-6-7-12-13(8-10)17-9-16-12)21(19,20)14-5-3-2-4-11(14)15/h2-9H,1H3,(H,16,17)
InChIKeyVGOXDPBLBABFAE-UHFFFAOYSA-N
XLogP3.04
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-yl)-2-chloro-N-methylbenzenesulfonamide?
The IUPAC name of N-(3H-benzimidazol-5-yl)-2-chloro-N-methylbenzenesulfonamide (CID 110869267) is N-(3H-benzimidazol-5-yl)-2-chloro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(3H-benzimidazol-5-yl)-2-chloro-N-methylbenzenesulfonamide?
The canonical SMILES for N-(3H-benzimidazol-5-yl)-2-chloro-N-methylbenzenesulfonamide is CN(c1ccc2nc[nH]c2c1)S(=O)(=O)c1ccccc1Cl.
What is the InChIKey of N-(3H-benzimidazol-5-yl)-2-chloro-N-methylbenzenesulfonamide?
The InChIKey is VGOXDPBLBABFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2S/c1-18(10-6-7-12-13(8-10)17-9-16-12)21(19,20)14-5-3-2-4-11(14)15/h2-9H,1H3,(H,16,17).
What are the key properties of N-(3H-benzimidazol-5-yl)-2-chloro-N-methylbenzenesulfonamide?
N-(3H-benzimidazol-5-yl)-2-chloro-N-methylbenzenesulfonamide has a molecular weight of 321.79 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-yl)-2-chloro-N-methylbenzenesulfonamide is sourced from PubChem (CID 110869267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).