N-(2-chloro-5-sulfamoylphenyl)-3-(triazol-1-yl)propanamide

C11H12ClN5O3S — CID 61128800

IUPACN-(2-chloro-5-sulfamoylphenyl)-3-(triazol-1-yl)propanamide
SMILESNS(=O)(=O)c1ccc(Cl)c(NC(=O)CCn2ccnn2)c1
InChIInChI=1S/C11H12ClN5O3S/c12-9-2-1-8(21(13,19)20)7-10(9)15-11(18)3-5-17-6-4-14-16-17/h1-2,4,6-7H,3,5H2,(H,15,18)(H2,13,19,20)
InChIKeyRVIFZJIBTSGAQE-UHFFFAOYSA-N
MW329.77 g/mol
LogP0.61
Rot. Bonds5

About N-(2-chloro-5-sulfamoylphenyl)-3-(triazol-1-yl)propanamide

N-(2-chloro-5-sulfamoylphenyl)-3-(triazol-1-yl)propanamide (PubChem CID 61128800) has the molecular formula C11H12ClN5O3S and a molecular weight of 329.77 g/mol. Its IUPAC name is N-(2-chloro-5-sulfamoylphenyl)-3-(triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-chloro-5-sulfamoylphenyl)-3-(triazol-1-yl)propanamide
PubChem CID61128800
Molecular FormulaC11H12ClN5O3S
Molecular Weight329.77 g/mol
Exact Mass329.03
IUPAC NameN-(2-chloro-5-sulfamoylphenyl)-3-(triazol-1-yl)propanamide
SMILESNS(=O)(=O)c1ccc(Cl)c(NC(=O)CCn2ccnn2)c1
InChIInChI=1S/C11H12ClN5O3S/c12-9-2-1-8(21(13,19)20)7-10(9)15-11(18)3-5-17-6-4-14-16-17/h1-2,4,6-7H,3,5H2,(H,15,18)(H2,13,19,20)
InChIKeyRVIFZJIBTSGAQE-UHFFFAOYSA-N
XLogP0.61
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.77
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methyl-5-sulfamoylphenyl)-3-(triazol-1-yl)propanamide
CID 61130686
5-chloro-N-(2-chloro-5-sulfamoylphenyl)pentanamide
CID 43700521
N-(2-chloro-5-sulfamoylphenyl)propanamide
CID 61130694
N-(4-bromo-3-chlorophenyl)-3-(triazol-1-yl)propanamide
CID 103824710
N-(2-methyl-5-sulfamoylphenyl)-3-pyrazol-1-ylpropanamide
CID 61130308
N-(2-chloro-5-sulfamoylphenyl)-3-(propan-2-ylamino)propanamide
CID 60852732
2-[2-(2-chloro-5-sulfamoylanilino)-2-oxoethyl]sulfanylacetic acid
CID 104569457
N-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-3-(triazol-1-yl)propanamide
CID 81281009
3-amino-N-(2-chloro-5-sulfamoylphenyl)butanamide
CID 54924131
2-amino-N-[2-(2-chloro-5-sulfamoylanilino)-2-oxoethyl]acetamide
CID 60849966
N-(2-chloro-5-sulfamoylphenyl)-2-ethoxyacetamide
CID 61130321
N-(4-bromo-2-fluorophenyl)-3-(triazol-1-yl)propanamide
CID 43111903

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-sulfamoylphenyl)-3-(triazol-1-yl)propanamide?
The IUPAC name of N-(2-chloro-5-sulfamoylphenyl)-3-(triazol-1-yl)propanamide (CID 61128800) is N-(2-chloro-5-sulfamoylphenyl)-3-(triazol-1-yl)propanamide.
What is the SMILES notation for N-(2-chloro-5-sulfamoylphenyl)-3-(triazol-1-yl)propanamide?
The canonical SMILES for N-(2-chloro-5-sulfamoylphenyl)-3-(triazol-1-yl)propanamide is NS(=O)(=O)c1ccc(Cl)c(NC(=O)CCn2ccnn2)c1.
What is the InChIKey of N-(2-chloro-5-sulfamoylphenyl)-3-(triazol-1-yl)propanamide?
The InChIKey is RVIFZJIBTSGAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O3S/c12-9-2-1-8(21(13,19)20)7-10(9)15-11(18)3-5-17-6-4-14-16-17/h1-2,4,6-7H,3,5H2,(H,15,18)(H2,13,19,20).
What are the key properties of N-(2-chloro-5-sulfamoylphenyl)-3-(triazol-1-yl)propanamide?
N-(2-chloro-5-sulfamoylphenyl)-3-(triazol-1-yl)propanamide has a molecular weight of 329.77 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-sulfamoylphenyl)-3-(triazol-1-yl)propanamide is sourced from PubChem (CID 61128800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).