N-[1-(4-sulfamoylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide

C11H14N6O3S — CID 42905640

IUPACN-[1-(4-sulfamoylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide
SMILESCC(NC(=O)Cn1cnnn1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H14N6O3S/c1-8(14-11(18)6-17-7-13-15-16-17)9-2-4-10(5-3-9)21(12,19)20/h2-5,7-8H,6H2,1H3,(H,14,18)(H2,12,19,20)
InChIKeyRFJXRTOLFCATMF-UHFFFAOYSA-N
MW310.34 g/mol
LogP-0.80
Rot. Bonds5

About N-[1-(4-sulfamoylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide

N-[1-(4-sulfamoylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 42905640) has the molecular formula C11H14N6O3S and a molecular weight of 310.34 g/mol. Its IUPAC name is N-[1-(4-sulfamoylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(4-sulfamoylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide
PubChem CID42905640
Molecular FormulaC11H14N6O3S
Molecular Weight310.34 g/mol
Exact Mass310.08
IUPAC NameN-[1-(4-sulfamoylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide
SMILESCC(NC(=O)Cn1cnnn1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H14N6O3S/c1-8(14-11(18)6-17-7-13-15-16-17)9-2-4-10(5-3-9)21(12,19)20/h2-5,7-8H,6H2,1H3,(H,14,18)(H2,12,19,20)
InChIKeyRFJXRTOLFCATMF-UHFFFAOYSA-N
XLogP-0.80
TPSA132.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1S)-1-naphthalen-2-ylethyl]-2-(tetrazol-1-yl)acetamide
CID 51513287
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-4-(tetrazol-1-yl)butanamide
CID 125440530
N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-4-(tetrazol-1-yl)butanamide
CID 125440529
N-[1-(1H-pyrazol-4-yl)ethyl]-2-(tetrazol-1-yl)acetamide
CID 103855789
4-fluoro-N-[4-[1-[[2-(tetrazol-1-yl)acetyl]amino]ethyl]phenyl]benzamide
CID 60537913
3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43702371
methyl (2S)-2-[[2-(tetrazol-1-yl)acetyl]amino]propanoate
CID 56817529
3-hydroxy-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid
CID 24711091
1,1-diethyl-3-[(1R)-1-(4-sulfamoylphenyl)ethyl]urea
CID 129375380
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 41041009
2-phenylsulfanyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 2572446
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 9373222

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-sulfamoylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[1-(4-sulfamoylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide (CID 42905640) is N-[1-(4-sulfamoylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[1-(4-sulfamoylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[1-(4-sulfamoylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide is CC(NC(=O)Cn1cnnn1)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-[1-(4-sulfamoylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is RFJXRTOLFCATMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O3S/c1-8(14-11(18)6-17-7-13-15-16-17)9-2-4-10(5-3-9)21(12,19)20/h2-5,7-8H,6H2,1H3,(H,14,18)(H2,12,19,20).
What are the key properties of N-[1-(4-sulfamoylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide?
N-[1-(4-sulfamoylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 310.34 g/mol, XLogP of -0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-sulfamoylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 42905640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).