N-[(3R)-pyrrolidin-3-yl]-1H-benzimidazole-2-sulfonamide

C11H14N4O2S — CID 71645830

IUPACN-[(3R)-pyrrolidin-3-yl]-1H-benzimidazole-2-sulfonamide
SMILESO=S(=O)(N[C@@H]1CCNC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C11H14N4O2S/c16-18(17,15-8-5-6-12-7-8)11-13-9-3-1-2-4-10(9)14-11/h1-4,8,12,15H,5-7H2,(H,13,14)/t8-/m1/s1
InChIKeyUFXIXQXJAUMRQJ-MRVPVSSYSA-N
MW266.33 g/mol
LogP0.20
Rot. Bonds3

About N-[(3R)-pyrrolidin-3-yl]-1H-benzimidazole-2-sulfonamide

N-[(3R)-pyrrolidin-3-yl]-1H-benzimidazole-2-sulfonamide (PubChem CID 71645830) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is N-[(3R)-pyrrolidin-3-yl]-1H-benzimidazole-2-sulfonamide.

Molecular Properties

Compound NameN-[(3R)-pyrrolidin-3-yl]-1H-benzimidazole-2-sulfonamide
PubChem CID71645830
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC NameN-[(3R)-pyrrolidin-3-yl]-1H-benzimidazole-2-sulfonamide
SMILESO=S(=O)(N[C@@H]1CCNC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C11H14N4O2S/c16-18(17,15-8-5-6-12-7-8)11-13-9-3-1-2-4-10(9)14-11/h1-4,8,12,15H,5-7H2,(H,13,14)/t8-/m1/s1
InChIKeyUFXIXQXJAUMRQJ-MRVPVSSYSA-N
XLogP0.20
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-pyrrolidin-3-yl]-1H-benzimidazole-2-sulfonamide?
The IUPAC name of N-[(3R)-pyrrolidin-3-yl]-1H-benzimidazole-2-sulfonamide (CID 71645830) is N-[(3R)-pyrrolidin-3-yl]-1H-benzimidazole-2-sulfonamide.
What is the SMILES notation for N-[(3R)-pyrrolidin-3-yl]-1H-benzimidazole-2-sulfonamide?
The canonical SMILES for N-[(3R)-pyrrolidin-3-yl]-1H-benzimidazole-2-sulfonamide is O=S(=O)(N[C@@H]1CCNC1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(3R)-pyrrolidin-3-yl]-1H-benzimidazole-2-sulfonamide?
The InChIKey is UFXIXQXJAUMRQJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c16-18(17,15-8-5-6-12-7-8)11-13-9-3-1-2-4-10(9)14-11/h1-4,8,12,15H,5-7H2,(H,13,14)/t8-/m1/s1.
What are the key properties of N-[(3R)-pyrrolidin-3-yl]-1H-benzimidazole-2-sulfonamide?
N-[(3R)-pyrrolidin-3-yl]-1H-benzimidazole-2-sulfonamide has a molecular weight of 266.33 g/mol, XLogP of 0.20, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-pyrrolidin-3-yl]-1H-benzimidazole-2-sulfonamide is sourced from PubChem (CID 71645830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).