3-[[3-(tetrazol-1-yl)phenyl]sulfamoyl]propanoic acid

C10H11N5O4S — CID 43705672

IUPAC3-[[3-(tetrazol-1-yl)phenyl]sulfamoyl]propanoic acid
SMILESO=C(O)CCS(=O)(=O)Nc1cccc(-n2cnnn2)c1
InChIInChI=1S/C10H11N5O4S/c16-10(17)4-5-20(18,19)12-8-2-1-3-9(6-8)15-7-11-13-14-15/h1-3,6-7,12H,4-5H2,(H,16,17)
InChIKeyWPJSPWBVPUSDHV-UHFFFAOYSA-N
MW297.30 g/mol
LogP-0.12
Rot. Bonds6

About 3-[[3-(tetrazol-1-yl)phenyl]sulfamoyl]propanoic acid

3-[[3-(tetrazol-1-yl)phenyl]sulfamoyl]propanoic acid (PubChem CID 43705672) has the molecular formula C10H11N5O4S and a molecular weight of 297.30 g/mol. Its IUPAC name is 3-[[3-(tetrazol-1-yl)phenyl]sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[[3-(tetrazol-1-yl)phenyl]sulfamoyl]propanoic acid
PubChem CID43705672
Molecular FormulaC10H11N5O4S
Molecular Weight297.30 g/mol
Exact Mass297.05
IUPAC Name3-[[3-(tetrazol-1-yl)phenyl]sulfamoyl]propanoic acid
SMILESO=C(O)CCS(=O)(=O)Nc1cccc(-n2cnnn2)c1
InChIInChI=1S/C10H11N5O4S/c16-10(17)4-5-20(18,19)12-8-2-1-3-9(6-8)15-7-11-13-14-15/h1-3,6-7,12H,4-5H2,(H,16,17)
InChIKeyWPJSPWBVPUSDHV-UHFFFAOYSA-N
XLogP-0.12
TPSA127.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-N-[3-(tetrazol-1-yl)phenyl]butane-1-sulfonamide
CID 116815573
2-[[3-(tetrazol-1-yl)phenyl]sulfamoyl]propanoic acid
CID 61454990
4-[(3-pyrazol-1-ylphenyl)sulfamoyl]butanoic acid
CID 43699767
2-bromo-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 63681198
3-[3-(tetrazol-1-yl)phenoxy]propanoic acid
CID 82513199
3-chloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 7693123
2,3-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 8519287
2-ethyl-N-[3-(tetrazol-1-yl)phenyl]butanamide
CID 47097708
2-(2,6-dichlorophenyl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 7692890
4-[[2-(tetrazol-1-yl)phenyl]sulfamoyl]butanoic acid
CID 43710270
N-[3-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 9317050
3-[[3-(aminomethyl)phenyl]sulfamoyl]propanoic acid
CID 63254571

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(tetrazol-1-yl)phenyl]sulfamoyl]propanoic acid?
The IUPAC name of 3-[[3-(tetrazol-1-yl)phenyl]sulfamoyl]propanoic acid (CID 43705672) is 3-[[3-(tetrazol-1-yl)phenyl]sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[[3-(tetrazol-1-yl)phenyl]sulfamoyl]propanoic acid?
The canonical SMILES for 3-[[3-(tetrazol-1-yl)phenyl]sulfamoyl]propanoic acid is O=C(O)CCS(=O)(=O)Nc1cccc(-n2cnnn2)c1.
What is the InChIKey of 3-[[3-(tetrazol-1-yl)phenyl]sulfamoyl]propanoic acid?
The InChIKey is WPJSPWBVPUSDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O4S/c16-10(17)4-5-20(18,19)12-8-2-1-3-9(6-8)15-7-11-13-14-15/h1-3,6-7,12H,4-5H2,(H,16,17).
What are the key properties of 3-[[3-(tetrazol-1-yl)phenyl]sulfamoyl]propanoic acid?
3-[[3-(tetrazol-1-yl)phenyl]sulfamoyl]propanoic acid has a molecular weight of 297.30 g/mol, XLogP of -0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(tetrazol-1-yl)phenyl]sulfamoyl]propanoic acid is sourced from PubChem (CID 43705672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).