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

C13H9Cl2N5O2S — CID 8519287

IUPAC2,3-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-n2cnnn2)c1)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H9Cl2N5O2S/c14-11-5-2-6-12(13(11)15)23(21,22)17-9-3-1-4-10(7-9)20-8-16-18-19-20/h1-8,17H
InChIKeyGTQBGUTWVBSEIY-UHFFFAOYSA-N
MW370.22 g/mol
LogP2.77
Rot. Bonds4

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

2,3-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide (PubChem CID 8519287) has the molecular formula C13H9Cl2N5O2S and a molecular weight of 370.22 g/mol. Its IUPAC name is 2,3-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
PubChem CID8519287
Molecular FormulaC13H9Cl2N5O2S
Molecular Weight370.22 g/mol
Exact Mass368.99
IUPAC Name2,3-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-n2cnnn2)c1)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H9Cl2N5O2S/c14-11-5-2-6-12(13(11)15)23(21,22)17-9-3-1-4-10(7-9)20-8-16-18-19-20/h1-8,17H
InChIKeyGTQBGUTWVBSEIY-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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Related Compounds

3-chloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 7693123
N-[3-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 9317050
N-[3-(tetrazol-1-yl)phenyl]-1H-pyrazole-4-sulfonamide
CID 61250480
2-(2,6-dichlorophenyl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 7692890
4-chloro-N-[3-(tetrazol-1-yl)phenyl]butane-1-sulfonamide
CID 116815573
4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 146021431
3-[[3-(tetrazol-1-yl)phenyl]sulfamoyl]propanoic acid
CID 43705672
2-[[3-(tetrazol-1-yl)phenyl]sulfamoyl]propanoic acid
CID 61454990
2,3-dichloro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8841870
4-(2-oxopyrrolidin-1-yl)-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 8823653
2,3-dichloro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2107587
N-[(2,4-dichlorophenyl)methyl]-3-(tetrazol-1-yl)aniline
CID 43231375

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide (CID 8519287) is 2,3-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide is O=S(=O)(Nc1cccc(-n2cnnn2)c1)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide?
The InChIKey is GTQBGUTWVBSEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N5O2S/c14-11-5-2-6-12(13(11)15)23(21,22)17-9-3-1-4-10(7-9)20-8-16-18-19-20/h1-8,17H.
What are the key properties of 2,3-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide?
2,3-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 2,3-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 8519287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).