4-chloro-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzenesulfonamide

C16H16ClN5O3S — CID 22579938

IUPAC4-chloro-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzenesulfonamide
SMILESCCOc1ccc(-n2nnnc2CNS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClN5O3S/c1-2-25-14-7-5-13(6-8-14)22-16(19-20-21-22)11-18-26(23,24)15-9-3-12(17)4-10-15/h3-10,18H,2,11H2,1H3
InChIKeyXOLDZNYCSHSCLD-UHFFFAOYSA-N
MW393.86 g/mol
LogP2.19
Rot. Bonds7

About 4-chloro-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzenesulfonamide

4-chloro-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzenesulfonamide (PubChem CID 22579938) has the molecular formula C16H16ClN5O3S and a molecular weight of 393.86 g/mol. Its IUPAC name is 4-chloro-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzenesulfonamide
PubChem CID22579938
Molecular FormulaC16H16ClN5O3S
Molecular Weight393.86 g/mol
Exact Mass393.07
IUPAC Name4-chloro-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzenesulfonamide
SMILESCCOc1ccc(-n2nnnc2CNS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClN5O3S/c1-2-25-14-7-5-13(6-8-14)22-16(19-20-21-22)11-18-26(23,24)15-9-3-12(17)4-10-15/h3-10,18H,2,11H2,1H3
InChIKeyXOLDZNYCSHSCLD-UHFFFAOYSA-N
XLogP2.19
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.86
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-2,4-difluorobenzenesulfonamide
CID 16820039
4-methyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide
CID 22579947
4-chloro-N-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]benzenesulfonamide
CID 16809041
N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide
CID 22579946
N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]propan-2-amine
CID 55109238
1-[1-(4-chlorophenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62736070
[1-(4-ethoxyphenyl)tetrazol-5-yl]methanamine;hydrochloride
CID 119106406
3-chloro-N-[(1-phenyltetrazol-5-yl)methyl]benzenesulfonamide
CID 18565850
N-[4-[(1-phenyltetrazol-5-yl)methylsulfamoyl]phenyl]acetamide
CID 18565844
4-methoxy-3-methyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide
CID 22579954
N-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-4-ethoxybenzenesulfonamide
CID 110504197
1-(4-chlorophenyl)sulfonyl-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazine
CID 30858578

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzenesulfonamide (CID 22579938) is 4-chloro-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzenesulfonamide is CCOc1ccc(-n2nnnc2CNS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzenesulfonamide?
The InChIKey is XOLDZNYCSHSCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O3S/c1-2-25-14-7-5-13(6-8-14)22-16(19-20-21-22)11-18-26(23,24)15-9-3-12(17)4-10-15/h3-10,18H,2,11H2,1H3.
What are the key properties of 4-chloro-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzenesulfonamide?
4-chloro-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzenesulfonamide has a molecular weight of 393.86 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 22579938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).