N-(3-chlorophenyl)-3-(tetrazol-1-yl)benzenesulfonamide

C13H10ClN5O2S — CID 854954

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

About N-(3-chlorophenyl)-3-(tetrazol-1-yl)benzenesulfonamide

N-(3-chlorophenyl)-3-(tetrazol-1-yl)benzenesulfonamide (PubChem CID 854954) has the molecular formula C13H10ClN5O2S and a molecular weight of 335.78 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(tetrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(tetrazol-1-yl)benzenesulfonamide
PubChem CID854954
Molecular FormulaC13H10ClN5O2S
Molecular Weight335.78 g/mol
Exact Mass335.02
IUPAC NameN-(3-chlorophenyl)-3-(tetrazol-1-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(Cl)c1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C13H10ClN5O2S/c14-10-3-1-4-11(7-10)16-22(20,21)13-6-2-5-12(8-13)19-9-15-17-18-19/h1-9,16H
InChIKeyBPTYSJPRVBMWJZ-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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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(tetrazol-1-yl)benzenesulfonamide?
The IUPAC name of N-(3-chlorophenyl)-3-(tetrazol-1-yl)benzenesulfonamide (CID 854954) is N-(3-chlorophenyl)-3-(tetrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-(tetrazol-1-yl)benzenesulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-3-(tetrazol-1-yl)benzenesulfonamide is O=S(=O)(Nc1cccc(Cl)c1)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-(tetrazol-1-yl)benzenesulfonamide?
The InChIKey is BPTYSJPRVBMWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5O2S/c14-10-3-1-4-11(7-10)16-22(20,21)13-6-2-5-12(8-13)19-9-15-17-18-19/h1-9,16H.
What are the key properties of N-(3-chlorophenyl)-3-(tetrazol-1-yl)benzenesulfonamide?
N-(3-chlorophenyl)-3-(tetrazol-1-yl)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 N-(3-chlorophenyl)-3-(tetrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 854954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).