N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(1,2,4-triazol-1-yl)propanamide

C19H20ClN5O3S — CID 112816128

IUPACN-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)C(C)n2cncn2)ccc1Cl
InChIInChI=1S/C19H20ClN5O3S/c1-3-25(16-7-5-4-6-8-16)29(27,28)18-11-15(9-10-17(18)20)23-19(26)14(2)24-13-21-12-22-24/h4-14H,3H2,1-2H3,(H,23,26)
InChIKeyNJVXXIPTTPWNIP-UHFFFAOYSA-N
MW433.92 g/mol
LogP3.35
Rot. Bonds7

About N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(1,2,4-triazol-1-yl)propanamide

N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 112816128) has the molecular formula C19H20ClN5O3S and a molecular weight of 433.92 g/mol. Its IUPAC name is N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID112816128
Molecular FormulaC19H20ClN5O3S
Molecular Weight433.92 g/mol
Exact Mass433.10
IUPAC NameN-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)C(C)n2cncn2)ccc1Cl
InChIInChI=1S/C19H20ClN5O3S/c1-3-25(16-7-5-4-6-8-16)29(27,28)18-11-15(9-10-17(18)20)23-19(26)14(2)24-13-21-12-22-24/h4-14H,3H2,1-2H3,(H,23,26)
InChIKeyNJVXXIPTTPWNIP-UHFFFAOYSA-N
XLogP3.35
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.92
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(1,2,4-triazol-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[4-chloro-3-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]-dimethylazanium
CID 7870484
2-chloro-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 52893457
3-acetamido-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]benzamide
CID 42992579
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 43054842
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-nitrophenyl)acetamide
CID 35729144
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2,5-difluorobenzamide
CID 43030093
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-1-cyanocyclohexane-1-carboxamide
CID 60584101
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 55340898
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55631238
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)acetamide
CID 36589093
3-[3-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]propanoic acid
CID 115339337
2-[3-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]acetic acid
CID 65345877

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(1,2,4-triazol-1-yl)propanamide (CID 112816128) is N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(1,2,4-triazol-1-yl)propanamide is CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)C(C)n2cncn2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is NJVXXIPTTPWNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O3S/c1-3-25(16-7-5-4-6-8-16)29(27,28)18-11-15(9-10-17(18)20)23-19(26)14(2)24-13-21-12-22-24/h4-14H,3H2,1-2H3,(H,23,26).
What are the key properties of N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 433.92 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 112816128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).