N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-3H-benzimidazole-5-sulfonamide

C15H16N4O2S — CID 131933234

IUPACN-methyl-N-[(3-methyl-2-pyridinyl)methyl]-3H-benzimidazole-5-sulfonamide
SMILESCc1cccnc1CN(C)S(=O)(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C15H16N4O2S/c1-11-4-3-7-16-15(11)9-19(2)22(20,21)12-5-6-13-14(8-12)18-10-17-13/h3-8,10H,9H2,1-2H3,(H,17,18)
InChIKeyMJQKRPMJNOMCFY-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.09
Rot. Bonds4

About N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-3H-benzimidazole-5-sulfonamide

N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-3H-benzimidazole-5-sulfonamide (PubChem CID 131933234) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(3-methyl-2-pyridinyl)methyl]-3H-benzimidazole-5-sulfonamide
PubChem CID131933234
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC NameN-methyl-N-[(3-methyl-2-pyridinyl)methyl]-3H-benzimidazole-5-sulfonamide
SMILESCc1cccnc1CN(C)S(=O)(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C15H16N4O2S/c1-11-4-3-7-16-15(11)9-19(2)22(20,21)12-5-6-13-14(8-12)18-10-17-13/h3-8,10H,9H2,1-2H3,(H,17,18)
InChIKeyMJQKRPMJNOMCFY-UHFFFAOYSA-N
XLogP2.09
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-3H-benzimidazole-5-sulfonamide
CID 68763718
N-ethyl-N-phenyl-3H-benzimidazole-5-sulfonamide
CID 110760013
N-(3H-benzimidazol-5-yl)-N,3,4-trimethylbenzenesulfonamide
CID 110869230
1-(3H-benzimidazol-5-yl)-N-methyl-N-pyrimidin-2-ylmethanesulfonamide
CID 90027143
N,1,2-trimethyl-N-[(3-methyl-2-pyridinyl)methyl]imidazole-4-sulfonamide
CID 131951567
N,N-dimethyl-1-(3-methyl-2-pyridinyl)methanamine
CID 20666322
N,N-diethyl-3H-benzimidazole-5-sulfonamide;heptacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne
CID 160893165
6-(4-methylsulfonylphenyl)-1H-benzimidazole
CID 39830614
N-methyl-N-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 43420531
N-(3H-benzimidazol-5-yl)-4-methoxy-N-methylbenzenesulfonamide
CID 110869229
4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 110724645
potassium;3H-benzimidazole-5-sulfonic acid;hydride
CID 173083213

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-3H-benzimidazole-5-sulfonamide?
The IUPAC name of N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-3H-benzimidazole-5-sulfonamide (CID 131933234) is N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-3H-benzimidazole-5-sulfonamide is Cc1cccnc1CN(C)S(=O)(=O)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-3H-benzimidazole-5-sulfonamide?
The InChIKey is MJQKRPMJNOMCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-11-4-3-7-16-15(11)9-19(2)22(20,21)12-5-6-13-14(8-12)18-10-17-13/h3-8,10H,9H2,1-2H3,(H,17,18).
What are the key properties of N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-3H-benzimidazole-5-sulfonamide?
N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-3H-benzimidazole-5-sulfonamide has a molecular weight of 316.39 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 131933234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).