N-[(3S)-1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]benzenesulfonamide

C21H21N7O2S — CID 66744273

IUPACN-[(3S)-1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]benzenesulfonamide
SMILESNc1ncc(N2CC[C@H](NS(=O)(=O)c3ccccc3)C2)nc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C21H21N7O2S/c22-20-19(21-24-16-8-4-5-9-17(16)25-21)26-18(12-23-20)28-11-10-14(13-28)27-31(29,30)15-6-2-1-3-7-15/h1-9,12,14,27H,10-11,13H2,(H2,22,23)(H,24,25)/t14-/m0/s1
InChIKeySHZJREPUSGYLJS-AWEZNQCLSA-N
MW435.51 g/mol
LogP2.16
Rot. Bonds5

About N-[(3S)-1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]benzenesulfonamide

N-[(3S)-1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]benzenesulfonamide (PubChem CID 66744273) has the molecular formula C21H21N7O2S and a molecular weight of 435.51 g/mol. Its IUPAC name is N-[(3S)-1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]benzenesulfonamide
PubChem CID66744273
Molecular FormulaC21H21N7O2S
Molecular Weight435.51 g/mol
Exact Mass435.15
IUPAC NameN-[(3S)-1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]benzenesulfonamide
SMILESNc1ncc(N2CC[C@H](NS(=O)(=O)c3ccccc3)C2)nc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C21H21N7O2S/c22-20-19(21-24-16-8-4-5-9-17(16)25-21)26-18(12-23-20)28-11-10-14(13-28)27-31(29,30)15-6-2-1-3-7-15/h1-9,12,14,27H,10-11,13H2,(H2,22,23)(H,24,25)/t14-/m0/s1
InChIKeySHZJREPUSGYLJS-AWEZNQCLSA-N
XLogP2.16
TPSA129.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]-2-phenoxyacetamide
CID 66744263
N-[(3S)-1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]-2-ethylbutanamide;molecular hydrogen
CID 159357802
[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-pyrrolidin-1-ylmethanone;molecular hydrogen
CID 161182532
1-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-N-methylpyrrolidine-3-carboxamide
CID 66744847
N-(1-pyridin-2-ylpyrrolidin-3-yl)quinoline-3-sulfonamide
CID 119049752
4-chloro-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 90621517
N-[(3S)-1-ethylsulfonylpiperidin-3-yl]benzenesulfonamide
CID 95310247
5-(4-ethylsulfonylpiperazin-1-yl)-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrazin-2-amine
CID 66744360
3-(1H-benzimidazol-2-yl)-5-(1-pyridin-3-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine
CID 66745302
4-methoxy-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 90621518
N-[1-(benzenesulfonyl)pyrrolidin-3-yl]benzenesulfonamide
CID 91241867
N-[(3S)-1-(5-morpholin-4-ylpyridazin-3-yl)pyrrolidin-3-yl]benzenesulfonamide
CID 164641092

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]benzenesulfonamide?
The IUPAC name of N-[(3S)-1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]benzenesulfonamide (CID 66744273) is N-[(3S)-1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[(3S)-1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]benzenesulfonamide?
The canonical SMILES for N-[(3S)-1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]benzenesulfonamide is Nc1ncc(N2CC[C@H](NS(=O)(=O)c3ccccc3)C2)nc1-c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(3S)-1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]benzenesulfonamide?
The InChIKey is SHZJREPUSGYLJS-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H21N7O2S/c22-20-19(21-24-16-8-4-5-9-17(16)25-21)26-18(12-23-20)28-11-10-14(13-28)27-31(29,30)15-6-2-1-3-7-15/h1-9,12,14,27H,10-11,13H2,(H2,22,23)(H,24,25)/t14-/m0/s1.
What are the key properties of N-[(3S)-1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]benzenesulfonamide?
N-[(3S)-1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]benzenesulfonamide has a molecular weight of 435.51 g/mol, XLogP of 2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 66744273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).