[2-amino-3-(benzenesulfonyl)benzimidazol-5-yl]-phenylmethanone

C20H15N3O3S — CID 71321268

IUPAC[2-amino-3-(benzenesulfonyl)benzimidazol-5-yl]-phenylmethanone
SMILESNc1nc2ccc(C(=O)c3ccccc3)cc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H15N3O3S/c21-20-22-17-12-11-15(19(24)14-7-3-1-4-8-14)13-18(17)23(20)27(25,26)16-9-5-2-6-10-16/h1-13H,(H2,21,22)
InChIKeyVXZLDGBQQNMLKV-UHFFFAOYSA-N
MW377.43 g/mol
LogP3.09
Rot. Bonds4

About [2-amino-3-(benzenesulfonyl)benzimidazol-5-yl]-phenylmethanone

[2-amino-3-(benzenesulfonyl)benzimidazol-5-yl]-phenylmethanone (PubChem CID 71321268) has the molecular formula C20H15N3O3S and a molecular weight of 377.43 g/mol. Its IUPAC name is [2-amino-3-(benzenesulfonyl)benzimidazol-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-amino-3-(benzenesulfonyl)benzimidazol-5-yl]-phenylmethanone
PubChem CID71321268
Molecular FormulaC20H15N3O3S
Molecular Weight377.43 g/mol
Exact Mass377.08
IUPAC Name[2-amino-3-(benzenesulfonyl)benzimidazol-5-yl]-phenylmethanone
SMILESNc1nc2ccc(C(=O)c3ccccc3)cc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H15N3O3S/c21-20-22-17-12-11-15(19(24)14-7-3-1-4-8-14)13-18(17)23(20)27(25,26)16-9-5-2-6-10-16/h1-13H,(H2,21,22)
InChIKeyVXZLDGBQQNMLKV-UHFFFAOYSA-N
XLogP3.09
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-amino-3-(benzenesulfonyl)benzimidazol-5-yl]-phenylmethanone?
The IUPAC name of [2-amino-3-(benzenesulfonyl)benzimidazol-5-yl]-phenylmethanone (CID 71321268) is [2-amino-3-(benzenesulfonyl)benzimidazol-5-yl]-phenylmethanone.
What is the SMILES notation for [2-amino-3-(benzenesulfonyl)benzimidazol-5-yl]-phenylmethanone?
The canonical SMILES for [2-amino-3-(benzenesulfonyl)benzimidazol-5-yl]-phenylmethanone is Nc1nc2ccc(C(=O)c3ccccc3)cc2n1S(=O)(=O)c1ccccc1.
What is the InChIKey of [2-amino-3-(benzenesulfonyl)benzimidazol-5-yl]-phenylmethanone?
The InChIKey is VXZLDGBQQNMLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3S/c21-20-22-17-12-11-15(19(24)14-7-3-1-4-8-14)13-18(17)23(20)27(25,26)16-9-5-2-6-10-16/h1-13H,(H2,21,22).
What are the key properties of [2-amino-3-(benzenesulfonyl)benzimidazol-5-yl]-phenylmethanone?
[2-amino-3-(benzenesulfonyl)benzimidazol-5-yl]-phenylmethanone has a molecular weight of 377.43 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-3-(benzenesulfonyl)benzimidazol-5-yl]-phenylmethanone is sourced from PubChem (CID 71321268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).