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

C12H15N5O3S — CID 61130686

IUPACN-(2-methyl-5-sulfamoylphenyl)-3-(triazol-1-yl)propanamide
SMILESCc1ccc(S(N)(=O)=O)cc1NC(=O)CCn1ccnn1
InChIInChI=1S/C12H15N5O3S/c1-9-2-3-10(21(13,19)20)8-11(9)15-12(18)4-6-17-7-5-14-16-17/h2-3,5,7-8H,4,6H2,1H3,(H,15,18)(H2,13,19,20)
InChIKeyRUKZFBZMJYCJJK-UHFFFAOYSA-N
MW309.35 g/mol
LogP0.26
Rot. Bonds5

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

N-(2-methyl-5-sulfamoylphenyl)-3-(triazol-1-yl)propanamide (PubChem CID 61130686) has the molecular formula C12H15N5O3S and a molecular weight of 309.35 g/mol. Its IUPAC name is N-(2-methyl-5-sulfamoylphenyl)-3-(triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-methyl-5-sulfamoylphenyl)-3-(triazol-1-yl)propanamide
PubChem CID61130686
Molecular FormulaC12H15N5O3S
Molecular Weight309.35 g/mol
Exact Mass309.09
IUPAC NameN-(2-methyl-5-sulfamoylphenyl)-3-(triazol-1-yl)propanamide
SMILESCc1ccc(S(N)(=O)=O)cc1NC(=O)CCn1ccnn1
InChIInChI=1S/C12H15N5O3S/c1-9-2-3-10(21(13,19)20)8-11(9)15-12(18)4-6-17-7-5-14-16-17/h2-3,5,7-8H,4,6H2,1H3,(H,15,18)(H2,13,19,20)
InChIKeyRUKZFBZMJYCJJK-UHFFFAOYSA-N
XLogP0.26
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chloro-5-sulfamoylphenyl)-3-(triazol-1-yl)propanamide
CID 61128800
N-(2-methyl-5-sulfamoylphenyl)-3-pyrazol-1-ylpropanamide
CID 61130308
5-bromo-N-(2-methyl-5-sulfamoylphenyl)pentanamide
CID 107908940
5-methyl-2-[3-(triazol-1-yl)propanoylamino]benzoic acid
CID 28791181
2-cyano-N-(2-methyl-5-sulfamoylphenyl)acetamide
CID 168521039
N-(4-bromo-3,5-dimethylphenyl)-3-(triazol-1-yl)propanamide
CID 106491096
3,3,3-trifluoro-N-(2-methyl-5-sulfamoylphenyl)propanamide
CID 61130873
2-(cyclopropylmethylamino)-N-(2-methyl-5-sulfamoylphenyl)acetamide
CID 60866226
ethyl N-(2-methyl-5-sulfamoylphenyl)carbamate
CID 61063184
N-(4-bromo-2-fluorophenyl)-3-(triazol-1-yl)propanamide
CID 43111903
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-3-(triazol-1-yl)propanamide
CID 82747458
2,2-dimethyl-N-(2-methyl-5-sulfamoylphenyl)butanamide
CID 55103402

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-sulfamoylphenyl)-3-(triazol-1-yl)propanamide?
The IUPAC name of N-(2-methyl-5-sulfamoylphenyl)-3-(triazol-1-yl)propanamide (CID 61130686) is N-(2-methyl-5-sulfamoylphenyl)-3-(triazol-1-yl)propanamide.
What is the SMILES notation for N-(2-methyl-5-sulfamoylphenyl)-3-(triazol-1-yl)propanamide?
The canonical SMILES for N-(2-methyl-5-sulfamoylphenyl)-3-(triazol-1-yl)propanamide is Cc1ccc(S(N)(=O)=O)cc1NC(=O)CCn1ccnn1.
What is the InChIKey of N-(2-methyl-5-sulfamoylphenyl)-3-(triazol-1-yl)propanamide?
The InChIKey is RUKZFBZMJYCJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3S/c1-9-2-3-10(21(13,19)20)8-11(9)15-12(18)4-6-17-7-5-14-16-17/h2-3,5,7-8H,4,6H2,1H3,(H,15,18)(H2,13,19,20).
What are the key properties of N-(2-methyl-5-sulfamoylphenyl)-3-(triazol-1-yl)propanamide?
N-(2-methyl-5-sulfamoylphenyl)-3-(triazol-1-yl)propanamide has a molecular weight of 309.35 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-sulfamoylphenyl)-3-(triazol-1-yl)propanamide is sourced from PubChem (CID 61130686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).