3-chloro-N-[(1-phenyltetrazol-5-yl)methyl]benzenesulfonamide

C14H12ClN5O2S — CID 18565850

IUPAC3-chloro-N-[(1-phenyltetrazol-5-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1nnnn1-c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C14H12ClN5O2S/c15-11-5-4-8-13(9-11)23(21,22)16-10-14-17-18-19-20(14)12-6-2-1-3-7-12/h1-9,16H,10H2
InChIKeyYAXWDGLROQOCGZ-UHFFFAOYSA-N
MW349.80 g/mol
LogP1.79
Rot. Bonds5

About 3-chloro-N-[(1-phenyltetrazol-5-yl)methyl]benzenesulfonamide

3-chloro-N-[(1-phenyltetrazol-5-yl)methyl]benzenesulfonamide (PubChem CID 18565850) has the molecular formula C14H12ClN5O2S and a molecular weight of 349.80 g/mol. Its IUPAC name is 3-chloro-N-[(1-phenyltetrazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(1-phenyltetrazol-5-yl)methyl]benzenesulfonamide
PubChem CID18565850
Molecular FormulaC14H12ClN5O2S
Molecular Weight349.80 g/mol
Exact Mass349.04
IUPAC Name3-chloro-N-[(1-phenyltetrazol-5-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1nnnn1-c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C14H12ClN5O2S/c15-11-5-4-8-13(9-11)23(21,22)16-10-14-17-18-19-20(14)12-6-2-1-3-7-12/h1-9,16H,10H2
InChIKeyYAXWDGLROQOCGZ-UHFFFAOYSA-N
XLogP1.79
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.80
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-chloro-N-[(1-phenyltetrazol-5-yl)methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide
CID 22579946
4-chloro-N-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]benzenesulfonamide
CID 16809041
1-(3-chlorophenyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 60671794
N-[4-[(1-phenyltetrazol-5-yl)methylsulfamoyl]phenyl]acetamide
CID 18565844
N-benzyl-3-chlorobenzenesulfonamide
CID 2405255
3-chloro-N-[(1-phenylpyrazol-3-yl)methyl]benzenesulfonamide
CID 78889859
4-methyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide
CID 22579947
N-[[1-(3-chlorophenyl)tetrazol-5-yl]methyl]propan-2-amine
CID 62737561
4-chloro-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzenesulfonamide
CID 22579938
N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]pyridine-3-sulfonamide
CID 41350032
5-[(3-chlorophenyl)methylsulfanylmethyl]-1-phenyltetrazole
CID 52561068
4-methoxy-3-methyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide
CID 22579954

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1-phenyltetrazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[(1-phenyltetrazol-5-yl)methyl]benzenesulfonamide (CID 18565850) is 3-chloro-N-[(1-phenyltetrazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(1-phenyltetrazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(1-phenyltetrazol-5-yl)methyl]benzenesulfonamide is O=S(=O)(NCc1nnnn1-c1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(1-phenyltetrazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is YAXWDGLROQOCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5O2S/c15-11-5-4-8-13(9-11)23(21,22)16-10-14-17-18-19-20(14)12-6-2-1-3-7-12/h1-9,16H,10H2.
What are the key properties of 3-chloro-N-[(1-phenyltetrazol-5-yl)methyl]benzenesulfonamide?
3-chloro-N-[(1-phenyltetrazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 349.80 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1-phenyltetrazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 18565850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).