2-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-N-methylbenzenesulfonamide

C18H21N5O2S — CID 133410073

IUPAC2-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1N1CCN(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C18H21N5O2S/c1-19-26(24,25)17-9-5-4-8-16(17)22-10-12-23(13-11-22)18-20-14-6-2-3-7-15(14)21-18/h2-9,19H,10-13H2,1H3,(H,20,21)
InChIKeyKVHHWGOBVODUGV-UHFFFAOYSA-N
MW371.47 g/mol
LogP1.80
Rot. Bonds4

About 2-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-N-methylbenzenesulfonamide

2-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-N-methylbenzenesulfonamide (PubChem CID 133410073) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is 2-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-N-methylbenzenesulfonamide
PubChem CID133410073
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC Name2-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1N1CCN(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C18H21N5O2S/c1-19-26(24,25)17-9-5-4-8-16(17)22-10-12-23(13-11-22)18-20-14-6-2-3-7-15(14)21-18/h2-9,19H,10-13H2,1H3,(H,20,21)
InChIKeyKVHHWGOBVODUGV-UHFFFAOYSA-N
XLogP1.80
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]ethanone
CID 110376496
2-[4-(azetidin-3-yl)piperazin-1-yl]-N-methylbenzenesulfonamide
CID 66201049
2-(4-methyl-1,4-diazepan-1-yl)-1H-benzimidazole
CID 10704647
2-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-N-methylbenzenesulfonamide
CID 120848242
bis(2-(4-ethylpiperazin-1-yl)-1H-benzimidazole);hydrate;tetrahydrochloride
CID 67157381
2-[4-(2,5-difluorophenyl)piperazin-1-yl]-1H-benzimidazole
CID 133410828
4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]benzoic acid
CID 18425264
N-methyl-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]benzenesulfonamide
CID 120848238
[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(3-methyloxetan-3-yl)methanone
CID 146022449
[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(2-iodophenyl)methanone
CID 133282698
1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 133410090
N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]benzenesulfonamide
CID 115300856

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-N-methylbenzenesulfonamide?
The IUPAC name of 2-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-N-methylbenzenesulfonamide (CID 133410073) is 2-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccccc1N1CCN(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 2-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-N-methylbenzenesulfonamide?
The InChIKey is KVHHWGOBVODUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-19-26(24,25)17-9-5-4-8-16(17)22-10-12-23(13-11-22)18-20-14-6-2-3-7-15(14)21-18/h2-9,19H,10-13H2,1H3,(H,20,21).
What are the key properties of 2-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-N-methylbenzenesulfonamide?
2-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-N-methylbenzenesulfonamide has a molecular weight of 371.47 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 133410073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).