N-methyl-N-piperidin-3-yl-1H-benzimidazole-2-sulfonamide;hydrochloride

C13H19ClN4O2S — CID 71641343

IUPACN-methyl-N-piperidin-3-yl-1H-benzimidazole-2-sulfonamide;hydrochloride
SMILESCN(C1CCCNC1)S(=O)(=O)c1nc2ccccc2[nH]1.Cl
InChIInChI=1S/C13H18N4O2S.ClH/c1-17(10-5-4-8-14-9-10)20(18,19)13-15-11-6-2-3-7-12(11)16-13;/h2-3,6-7,10,14H,4-5,8-9H2,1H3,(H,15,16);1H
InChIKeyJDTBJDLFPLKCCF-UHFFFAOYSA-N
MW330.84 g/mol
LogP1.36
Rot. Bonds3

About N-methyl-N-piperidin-3-yl-1H-benzimidazole-2-sulfonamide;hydrochloride

N-methyl-N-piperidin-3-yl-1H-benzimidazole-2-sulfonamide;hydrochloride (PubChem CID 71641343) has the molecular formula C13H19ClN4O2S and a molecular weight of 330.84 g/mol. Its IUPAC name is N-methyl-N-piperidin-3-yl-1H-benzimidazole-2-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-piperidin-3-yl-1H-benzimidazole-2-sulfonamide;hydrochloride
PubChem CID71641343
Molecular FormulaC13H19ClN4O2S
Molecular Weight330.84 g/mol
Exact Mass330.09
IUPAC NameN-methyl-N-piperidin-3-yl-1H-benzimidazole-2-sulfonamide;hydrochloride
SMILESCN(C1CCCNC1)S(=O)(=O)c1nc2ccccc2[nH]1.Cl
InChIInChI=1S/C13H18N4O2S.ClH/c1-17(10-5-4-8-14-9-10)20(18,19)13-15-11-6-2-3-7-12(11)16-13;/h2-3,6-7,10,14H,4-5,8-9H2,1H3,(H,15,16);1H
InChIKeyJDTBJDLFPLKCCF-UHFFFAOYSA-N
XLogP1.36
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-1H-benzimidazole-2-sulfonamide
CID 23041875
2-[(3S)-piperidin-3-yl]-1H-benzimidazole;dihydrochloride
CID 131870823
N-methyl-N-[(3R)-piperidin-3-yl]thiophene-2-sulfonamide;hydrochloride
CID 71640930
N-[(3R)-piperidin-3-yl]-1H-benzimidazol-2-amine;hydrochloride
CID 71637322
N-[(3S)-piperidin-3-yl]-1H-benzimidazol-2-amine;hydrochloride
CID 71637361
2,6-difluoro-N-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 63642307
N-[(3R)-pyrrolidin-3-yl]-1H-benzimidazole-2-sulfonamide
CID 71645830
2-[[(3S)-pyrrolidin-3-yl]methylsulfonyl]-1H-benzimidazole
CID 97166022
N-(1H-benzimidazol-2-ylmethyl)-N-propylpiperidin-3-amine
CID 63637511
N-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-sulfonamide
CID 71641141
N-methyl-N-[(3R)-piperidin-3-yl]-1,3-benzothiazol-2-amine;hydrochloride
CID 71640920
N-(1H-benzimidazol-2-ylmethyl)-N-methylazepan-4-amine
CID 107173191

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-piperidin-3-yl-1H-benzimidazole-2-sulfonamide;hydrochloride?
The IUPAC name of N-methyl-N-piperidin-3-yl-1H-benzimidazole-2-sulfonamide;hydrochloride (CID 71641343) is N-methyl-N-piperidin-3-yl-1H-benzimidazole-2-sulfonamide;hydrochloride.
What is the SMILES notation for N-methyl-N-piperidin-3-yl-1H-benzimidazole-2-sulfonamide;hydrochloride?
The canonical SMILES for N-methyl-N-piperidin-3-yl-1H-benzimidazole-2-sulfonamide;hydrochloride is CN(C1CCCNC1)S(=O)(=O)c1nc2ccccc2[nH]1.Cl.
What is the InChIKey of N-methyl-N-piperidin-3-yl-1H-benzimidazole-2-sulfonamide;hydrochloride?
The InChIKey is JDTBJDLFPLKCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S.ClH/c1-17(10-5-4-8-14-9-10)20(18,19)13-15-11-6-2-3-7-12(11)16-13;/h2-3,6-7,10,14H,4-5,8-9H2,1H3,(H,15,16);1H.
What are the key properties of N-methyl-N-piperidin-3-yl-1H-benzimidazole-2-sulfonamide;hydrochloride?
N-methyl-N-piperidin-3-yl-1H-benzimidazole-2-sulfonamide;hydrochloride has a molecular weight of 330.84 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-piperidin-3-yl-1H-benzimidazole-2-sulfonamide;hydrochloride is sourced from PubChem (CID 71641343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).