3-chloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide

C13H10ClN5O2S — CID 7693123

IUPAC3-chloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-n2cnnn2)c1)c1cccc(Cl)c1
InChIInChI=1S/C13H10ClN5O2S/c14-10-3-1-6-13(7-10)22(20,21)16-11-4-2-5-12(8-11)19-9-15-17-18-19/h1-9,16H
InChIKeyBUIAUFKSQHVTBG-UHFFFAOYSA-N
MW335.78 g/mol
LogP2.12
Rot. Bonds4

About 3-chloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide

3-chloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide (PubChem CID 7693123) has the molecular formula C13H10ClN5O2S and a molecular weight of 335.78 g/mol. Its IUPAC name is 3-chloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
PubChem CID7693123
Molecular FormulaC13H10ClN5O2S
Molecular Weight335.78 g/mol
Exact Mass335.02
IUPAC Name3-chloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-n2cnnn2)c1)c1cccc(Cl)c1
InChIInChI=1S/C13H10ClN5O2S/c14-10-3-1-6-13(7-10)22(20,21)16-11-4-2-5-12(8-11)19-9-15-17-18-19/h1-9,16H
InChIKeyBUIAUFKSQHVTBG-UHFFFAOYSA-N
XLogP2.12
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.78
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,3-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 8519287
N-[3-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 9317050
N-[3-(tetrazol-1-yl)phenyl]-1H-pyrazole-4-sulfonamide
CID 61250480
4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 146021431
4-(2-oxopyrrolidin-1-yl)-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 8823653
4-chloro-N-[3-(tetrazol-1-yl)phenyl]butane-1-sulfonamide
CID 116815573
3-chloro-N-(3-morpholin-4-ylphenyl)benzenesulfonamide
CID 55891569
N-[4-(1,3-oxazol-5-yl)phenyl]-3-(tetrazol-1-yl)benzenesulfonamide
CID 86858423
N-[1-(3-chlorophenyl)ethyl]-3-(tetrazol-1-yl)aniline
CID 43683959
3-chloro-N-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]benzenesulfonamide
CID 39841814
3-[[3-(tetrazol-1-yl)phenyl]sulfamoyl]propanoic acid
CID 43705672
2-[[3-(tetrazol-1-yl)phenyl]sulfamoyl]propanoic acid
CID 61454990

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide (CID 7693123) is 3-chloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide is O=S(=O)(Nc1cccc(-n2cnnn2)c1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide?
The InChIKey is BUIAUFKSQHVTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5O2S/c14-10-3-1-6-13(7-10)22(20,21)16-11-4-2-5-12(8-11)19-9-15-17-18-19/h1-9,16H.
What are the key properties of 3-chloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide?
3-chloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide has a molecular weight of 335.78 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 7693123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).