1-naphthalen-1-ylsulfonylbenzimidazol-2-amine

C17H13N3O2S — CID 45253885

IUPAC1-naphthalen-1-ylsulfonylbenzimidazol-2-amine
SMILESNc1nc2ccccc2n1S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C17H13N3O2S/c18-17-19-14-9-3-4-10-15(14)20(17)23(21,22)16-11-5-7-12-6-1-2-8-13(12)16/h1-11H,(H2,18,19)
InChIKeyDVPGJFJTYKYKCN-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.01
Rot. Bonds2

About 1-naphthalen-1-ylsulfonylbenzimidazol-2-amine

1-naphthalen-1-ylsulfonylbenzimidazol-2-amine (PubChem CID 45253885) has the molecular formula C17H13N3O2S and a molecular weight of 323.38 g/mol. Its IUPAC name is 1-naphthalen-1-ylsulfonylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-naphthalen-1-ylsulfonylbenzimidazol-2-amine
PubChem CID45253885
Molecular FormulaC17H13N3O2S
Molecular Weight323.38 g/mol
Exact Mass323.07
IUPAC Name1-naphthalen-1-ylsulfonylbenzimidazol-2-amine
SMILESNc1nc2ccccc2n1S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C17H13N3O2S/c18-17-19-14-9-3-4-10-15(14)20(17)23(21,22)16-11-5-7-12-6-1-2-8-13(12)16/h1-11H,(H2,18,19)
InChIKeyDVPGJFJTYKYKCN-UHFFFAOYSA-N
XLogP3.01
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-ylsulfonylbenzimidazol-2-amine?
The IUPAC name of 1-naphthalen-1-ylsulfonylbenzimidazol-2-amine (CID 45253885) is 1-naphthalen-1-ylsulfonylbenzimidazol-2-amine.
What is the SMILES notation for 1-naphthalen-1-ylsulfonylbenzimidazol-2-amine?
The canonical SMILES for 1-naphthalen-1-ylsulfonylbenzimidazol-2-amine is Nc1nc2ccccc2n1S(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-ylsulfonylbenzimidazol-2-amine?
The InChIKey is DVPGJFJTYKYKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2S/c18-17-19-14-9-3-4-10-15(14)20(17)23(21,22)16-11-5-7-12-6-1-2-8-13(12)16/h1-11H,(H2,18,19).
What are the key properties of 1-naphthalen-1-ylsulfonylbenzimidazol-2-amine?
1-naphthalen-1-ylsulfonylbenzimidazol-2-amine has a molecular weight of 323.38 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-ylsulfonylbenzimidazol-2-amine is sourced from PubChem (CID 45253885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).