2,5-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide

C13H9Cl2N5O2S — CID 7710629

IUPAC2,5-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-n2cnnn2)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H9Cl2N5O2S/c14-9-4-5-12(15)13(6-9)23(21,22)17-10-2-1-3-11(7-10)20-8-16-18-19-20/h1-8,17H
InChIKeyKEBBNEXYBVFSEU-UHFFFAOYSA-N
MW370.22 g/mol
LogP2.77
Rot. Bonds4

About 2,5-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide

2,5-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide (PubChem CID 7710629) has the molecular formula C13H9Cl2N5O2S and a molecular weight of 370.22 g/mol. Its IUPAC name is 2,5-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
PubChem CID7710629
Molecular FormulaC13H9Cl2N5O2S
Molecular Weight370.22 g/mol
Exact Mass368.99
IUPAC Name2,5-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-n2cnnn2)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H9Cl2N5O2S/c14-9-4-5-12(15)13(6-9)23(21,22)17-10-2-1-3-11(7-10)20-8-16-18-19-20/h1-8,17H
InChIKeyKEBBNEXYBVFSEU-UHFFFAOYSA-N
XLogP2.77
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.22
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide (CID 7710629) is 2,5-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide is O=S(=O)(Nc1cccc(-n2cnnn2)c1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide?
The InChIKey is KEBBNEXYBVFSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N5O2S/c14-9-4-5-12(15)13(6-9)23(21,22)17-10-2-1-3-11(7-10)20-8-16-18-19-20/h1-8,17H.
What are the key properties of 2,5-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide?
2,5-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide has a molecular weight of 370.22 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 7710629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).