4-(2-methoxyphenyl)-N-[2-(tetrazol-1-yl)ethyl]benzenesulfonamide

C16H17N5O3S — CID 171388697

IUPAC4-(2-methoxyphenyl)-N-[2-(tetrazol-1-yl)ethyl]benzenesulfonamide
SMILESCOc1ccccc1-c1ccc(S(=O)(=O)NCCn2cnnn2)cc1
InChIInChI=1S/C16H17N5O3S/c1-24-16-5-3-2-4-15(16)13-6-8-14(9-7-13)25(22,23)18-10-11-21-12-17-19-20-21/h2-9,12,18H,10-11H2,1H3
InChIKeyBWTAJQAOLRLAJB-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.33
Rot. Bonds7

About 4-(2-methoxyphenyl)-N-[2-(tetrazol-1-yl)ethyl]benzenesulfonamide

4-(2-methoxyphenyl)-N-[2-(tetrazol-1-yl)ethyl]benzenesulfonamide (PubChem CID 171388697) has the molecular formula C16H17N5O3S and a molecular weight of 359.41 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-N-[2-(tetrazol-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-N-[2-(tetrazol-1-yl)ethyl]benzenesulfonamide
PubChem CID171388697
Molecular FormulaC16H17N5O3S
Molecular Weight359.41 g/mol
Exact Mass359.11
IUPAC Name4-(2-methoxyphenyl)-N-[2-(tetrazol-1-yl)ethyl]benzenesulfonamide
SMILESCOc1ccccc1-c1ccc(S(=O)(=O)NCCn2cnnn2)cc1
InChIInChI=1S/C16H17N5O3S/c1-24-16-5-3-2-4-15(16)13-6-8-14(9-7-13)25(22,23)18-10-11-21-12-17-19-20-21/h2-9,12,18H,10-11H2,1H3
InChIKeyBWTAJQAOLRLAJB-UHFFFAOYSA-N
XLogP1.33
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(2-propylphenoxy)ethyl]-4-[2-(tetrazol-1-yl)ethoxy]benzenesulfonamide
CID 46786082
3-methoxy-N-propyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 3212817
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(tetrazol-1-yl)benzenesulfonamide
CID 24792691
2-methoxy-N-[2-(triazol-2-yl)ethyl]benzenesulfonamide
CID 121177465
N-(2-hydroxyethyl)-4-(5-hydroxy-2-methoxyphenyl)benzenesulfonamide
CID 166288259
1-methoxy-2-[4-[4-(2-methoxyphenyl)phenyl]phenyl]benzene
CID 86116478
3,4-dimethoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 90588175
4-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzenesulfonamide
CID 15668303
4-methylsulfanyl-N-[2-(2-phenylphenoxy)ethyl]benzenesulfonamide
CID 2216743
N-[6-(1,3-dioxoisoindol-2-yl)hexyl]-4-methoxybenzenesulfonamide
CID 168878182
4-(2-methoxyphenoxy)-N-(2-phenylethyl)benzenesulfonamide
CID 1281323
3-fluoro-4-methoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 16825985

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-N-[2-(tetrazol-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-(2-methoxyphenyl)-N-[2-(tetrazol-1-yl)ethyl]benzenesulfonamide (CID 171388697) is 4-(2-methoxyphenyl)-N-[2-(tetrazol-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-(2-methoxyphenyl)-N-[2-(tetrazol-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-(2-methoxyphenyl)-N-[2-(tetrazol-1-yl)ethyl]benzenesulfonamide is COc1ccccc1-c1ccc(S(=O)(=O)NCCn2cnnn2)cc1.
What is the InChIKey of 4-(2-methoxyphenyl)-N-[2-(tetrazol-1-yl)ethyl]benzenesulfonamide?
The InChIKey is BWTAJQAOLRLAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3S/c1-24-16-5-3-2-4-15(16)13-6-8-14(9-7-13)25(22,23)18-10-11-21-12-17-19-20-21/h2-9,12,18H,10-11H2,1H3.
What are the key properties of 4-(2-methoxyphenyl)-N-[2-(tetrazol-1-yl)ethyl]benzenesulfonamide?
4-(2-methoxyphenyl)-N-[2-(tetrazol-1-yl)ethyl]benzenesulfonamide has a molecular weight of 359.41 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-N-[2-(tetrazol-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 171388697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).