N-(1H-benzimidazol-2-ylmethyl)pyrrolidine-1-sulfonamide

C12H16N4O2S — CID 78991651

IUPACN-(1H-benzimidazol-2-ylmethyl)pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NCc1nc2ccccc2[nH]1)N1CCCC1
InChIInChI=1S/C12H16N4O2S/c17-19(18,16-7-3-4-8-16)13-9-12-14-10-5-1-2-6-11(10)15-12/h1-2,5-6,13H,3-4,7-9H2,(H,14,15)
InChIKeyPWKIBGPQRKJSGE-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.99
Rot. Bonds4

About N-(1H-benzimidazol-2-ylmethyl)pyrrolidine-1-sulfonamide

N-(1H-benzimidazol-2-ylmethyl)pyrrolidine-1-sulfonamide (PubChem CID 78991651) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)pyrrolidine-1-sulfonamide
PubChem CID78991651
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NCc1nc2ccccc2[nH]1)N1CCCC1
InChIInChI=1S/C12H16N4O2S/c17-19(18,16-7-3-4-8-16)13-9-12-14-10-5-1-2-6-11(10)15-12/h1-2,5-6,13H,3-4,7-9H2,(H,14,15)
InChIKeyPWKIBGPQRKJSGE-UHFFFAOYSA-N
XLogP0.99
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-1-sulfonamide
CID 154764510
N-(1H-benzimidazol-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 2547545
N-(1H-benzimidazol-2-ylmethyl)-2-piperidin-1-ylsulfonylbenzamide
CID 71904706
N-(1H-benzimidazol-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2333186
N-(1H-benzimidazol-2-ylmethyl)-2-methylbenzenesulfonamide
CID 79013941
methyl 2-(1H-benzimidazol-2-ylmethylsulfamoyl)acetate
CID 78991650
N-(1H-benzimidazol-2-ylmethyl)-4-tert-butylbenzenesulfonamide
CID 110711606
2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride
CID 3063303
N-(1H-benzimidazol-2-ylmethyl)-3,4-difluorobenzenesulfonamide
CID 6736481
N-(1H-benzimidazol-2-ylmethyl)propan-2-amine;dihydrochloride
CID 56773634
N-(1H-benzimidazol-2-ylmethyl)cyclobutanamine
CID 78991541
N-(1H-benzimidazol-2-ylmethyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106150581

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)pyrrolidine-1-sulfonamide (CID 78991651) is N-(1H-benzimidazol-2-ylmethyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)pyrrolidine-1-sulfonamide is O=S(=O)(NCc1nc2ccccc2[nH]1)N1CCCC1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)pyrrolidine-1-sulfonamide?
The InChIKey is PWKIBGPQRKJSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c17-19(18,16-7-3-4-8-16)13-9-12-14-10-5-1-2-6-11(10)15-12/h1-2,5-6,13H,3-4,7-9H2,(H,14,15).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)pyrrolidine-1-sulfonamide?
N-(1H-benzimidazol-2-ylmethyl)pyrrolidine-1-sulfonamide has a molecular weight of 280.35 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 78991651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).