4-chloro-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide

C13H10ClN5O2S — CID 7510387

IUPAC4-chloro-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-n2cnnn2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C13H10ClN5O2S/c14-10-1-7-13(8-2-10)22(20,21)16-11-3-5-12(6-4-11)19-9-15-17-18-19/h1-9,16H
InChIKeyHTPIYTXFVAULHI-UHFFFAOYSA-N
MW335.78 g/mol
LogP2.12
Rot. Bonds4

About 4-chloro-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide

4-chloro-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide (PubChem CID 7510387) has the molecular formula C13H10ClN5O2S and a molecular weight of 335.78 g/mol. Its IUPAC name is 4-chloro-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
PubChem CID7510387
Molecular FormulaC13H10ClN5O2S
Molecular Weight335.78 g/mol
Exact Mass335.02
IUPAC Name4-chloro-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-n2cnnn2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C13H10ClN5O2S/c14-10-1-7-13(8-2-10)22(20,21)16-11-3-5-12(6-4-11)19-9-15-17-18-19/h1-9,16H
InChIKeyHTPIYTXFVAULHI-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

N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide
CID 930714
4-methyl-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 8189723
2,5-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 7710629
N-(3-chlorophenyl)-3-(tetrazol-1-yl)benzenesulfonamide
CID 854954
5-chloro-N-[4-(tetrazol-1-yl)phenyl]thiophene-2-sulfonamide
CID 2539283
N-[3-(1H-tetrazol-1-yl)phenyl]benzenesulfonamide
CID 7708268
2-fluoro-N-[3-(1H-tetrazol-1-yl)phenyl]benzenesulfonamide
CID 7708707
4-fluoro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 8034485
2-fluoro-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 8015656
3-fluoro-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 8189726
2,3,4-trifluoro-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 2451006
N-(4-methylsulfanylphenyl)-4-(tetrazol-1-yl)benzenesulfonamide
CID 6463346

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide (CID 7510387) is 4-chloro-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(-n2cnnn2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide?
The InChIKey is HTPIYTXFVAULHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5O2S/c14-10-1-7-13(8-2-10)22(20,21)16-11-3-5-12(6-4-11)19-9-15-17-18-19/h1-9,16H.
What are the key properties of 4-chloro-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide?
4-chloro-N-[4-(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 4-chloro-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 7510387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).