2-[2-amino-5-(3-cyanophenyl)-3-pyridinyl]-3H-benzimidazole-5-sulfonamide

C19H14N6O2S — CID 10068962

IUPAC2-[2-amino-5-(3-cyanophenyl)-3-pyridinyl]-3H-benzimidazole-5-sulfonamide
SMILESN#Cc1cccc(-c2cnc(N)c(-c3nc4ccc(S(N)(=O)=O)cc4[nH]3)c2)c1
InChIInChI=1S/C19H14N6O2S/c20-9-11-2-1-3-12(6-11)13-7-15(18(21)23-10-13)19-24-16-5-4-14(28(22,26)27)8-17(16)25-19/h1-8,10H,(H2,21,23)(H,24,25)(H2,22,26,27)
InChIKeyFUSVWYRZUBCJBA-UHFFFAOYSA-N
MW390.43 g/mol
LogP2.39
Rot. Bonds3

About 2-[2-amino-5-(3-cyanophenyl)-3-pyridinyl]-3H-benzimidazole-5-sulfonamide

2-[2-amino-5-(3-cyanophenyl)-3-pyridinyl]-3H-benzimidazole-5-sulfonamide (PubChem CID 10068962) has the molecular formula C19H14N6O2S and a molecular weight of 390.43 g/mol. Its IUPAC name is 2-[2-amino-5-(3-cyanophenyl)-3-pyridinyl]-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound Name2-[2-amino-5-(3-cyanophenyl)-3-pyridinyl]-3H-benzimidazole-5-sulfonamide
PubChem CID10068962
Molecular FormulaC19H14N6O2S
Molecular Weight390.43 g/mol
Exact Mass390.09
IUPAC Name2-[2-amino-5-(3-cyanophenyl)-3-pyridinyl]-3H-benzimidazole-5-sulfonamide
SMILESN#Cc1cccc(-c2cnc(N)c(-c3nc4ccc(S(N)(=O)=O)cc4[nH]3)c2)c1
InChIInChI=1S/C19H14N6O2S/c20-9-11-2-1-3-12(6-11)13-7-15(18(21)23-10-13)19-24-16-5-4-14(28(22,26)27)8-17(16)25-19/h1-8,10H,(H2,21,23)(H,24,25)(H2,22,26,27)
InChIKeyFUSVWYRZUBCJBA-UHFFFAOYSA-N
XLogP2.39
TPSA151.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(3-cyanophenyl)-3-pyridinyl]-3H-benzimidazole-5-sulfonamide?
The IUPAC name of 2-[2-amino-5-(3-cyanophenyl)-3-pyridinyl]-3H-benzimidazole-5-sulfonamide (CID 10068962) is 2-[2-amino-5-(3-cyanophenyl)-3-pyridinyl]-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for 2-[2-amino-5-(3-cyanophenyl)-3-pyridinyl]-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for 2-[2-amino-5-(3-cyanophenyl)-3-pyridinyl]-3H-benzimidazole-5-sulfonamide is N#Cc1cccc(-c2cnc(N)c(-c3nc4ccc(S(N)(=O)=O)cc4[nH]3)c2)c1.
What is the InChIKey of 2-[2-amino-5-(3-cyanophenyl)-3-pyridinyl]-3H-benzimidazole-5-sulfonamide?
The InChIKey is FUSVWYRZUBCJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6O2S/c20-9-11-2-1-3-12(6-11)13-7-15(18(21)23-10-13)19-24-16-5-4-14(28(22,26)27)8-17(16)25-19/h1-8,10H,(H2,21,23)(H,24,25)(H2,22,26,27).
What are the key properties of 2-[2-amino-5-(3-cyanophenyl)-3-pyridinyl]-3H-benzimidazole-5-sulfonamide?
2-[2-amino-5-(3-cyanophenyl)-3-pyridinyl]-3H-benzimidazole-5-sulfonamide has a molecular weight of 390.43 g/mol, XLogP of 2.39, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(3-cyanophenyl)-3-pyridinyl]-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 10068962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).