N-[2-(tetrazol-1-yl)phenyl]ethanesulfonamide

C9H11N5O2S — CID 61061859

IUPACN-[2-(tetrazol-1-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccccc1-n1cnnn1
InChIInChI=1S/C9H11N5O2S/c1-2-17(15,16)11-8-5-3-4-6-9(8)14-7-10-12-13-14/h3-7,11H,2H2,1H3
InChIKeyXRZSTCSHUSTBQT-UHFFFAOYSA-N
MW253.29 g/mol
LogP0.42
Rot. Bonds4

About N-[2-(tetrazol-1-yl)phenyl]ethanesulfonamide

N-[2-(tetrazol-1-yl)phenyl]ethanesulfonamide (PubChem CID 61061859) has the molecular formula C9H11N5O2S and a molecular weight of 253.29 g/mol. Its IUPAC name is N-[2-(tetrazol-1-yl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(tetrazol-1-yl)phenyl]ethanesulfonamide
PubChem CID61061859
Molecular FormulaC9H11N5O2S
Molecular Weight253.29 g/mol
Exact Mass253.06
IUPAC NameN-[2-(tetrazol-1-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccccc1-n1cnnn1
InChIInChI=1S/C9H11N5O2S/c1-2-17(15,16)11-8-5-3-4-6-9(8)14-7-10-12-13-14/h3-7,11H,2H2,1H3
InChIKeyXRZSTCSHUSTBQT-UHFFFAOYSA-N
XLogP0.42
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[2-(tetrazol-1-yl)phenyl]sulfamoyl]butanoic acid
CID 43710270
N-(3-methylbutyl)-2-(tetrazol-1-yl)aniline
CID 43702180
(2S)-2-amino-N-[2-(tetrazol-1-yl)phenyl]hexanamide
CID 107144063
(2S)-2-amino-4-methyl-N-[2-(tetrazol-1-yl)phenyl]pentanamide
CID 61180779
3-(ethylamino)-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 55121620
2-amino-4-methyl-N-[2-(tetrazol-1-yl)phenyl]pentanamide
CID 43706192
3-amino-2,2-dimethyl-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 115426234
3-chloro-2-methyl-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 55110809
N-(1,1-difluoropropan-2-yl)-2-(tetrazol-1-yl)aniline
CID 102868555
(2R)-2-amino-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 54995832
2-chloro-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 43698693
N-(3-methylsulfanylpropyl)-2-(tetrazol-1-yl)aniline
CID 43702070

Frequently Asked Questions

What is the IUPAC name of N-[2-(tetrazol-1-yl)phenyl]ethanesulfonamide?
The IUPAC name of N-[2-(tetrazol-1-yl)phenyl]ethanesulfonamide (CID 61061859) is N-[2-(tetrazol-1-yl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(tetrazol-1-yl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[2-(tetrazol-1-yl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccccc1-n1cnnn1.
What is the InChIKey of N-[2-(tetrazol-1-yl)phenyl]ethanesulfonamide?
The InChIKey is XRZSTCSHUSTBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2S/c1-2-17(15,16)11-8-5-3-4-6-9(8)14-7-10-12-13-14/h3-7,11H,2H2,1H3.
What are the key properties of N-[2-(tetrazol-1-yl)phenyl]ethanesulfonamide?
N-[2-(tetrazol-1-yl)phenyl]ethanesulfonamide has a molecular weight of 253.29 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tetrazol-1-yl)phenyl]ethanesulfonamide is sourced from PubChem (CID 61061859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).