N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-methyltriazole-4-carboxamide

C12H14ClN5O3S — CID 100680707

IUPACN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-methyltriazole-4-carboxamide
SMILESCN(C)S(=O)(=O)c1cc(NC(=O)c2cnnn2C)ccc1Cl
InChIInChI=1S/C12H14ClN5O3S/c1-17(2)22(20,21)11-6-8(4-5-9(11)13)15-12(19)10-7-14-16-18(10)3/h4-7H,1-3H3,(H,15,19)
InChIKeyFZLMCHDDAUEVMZ-UHFFFAOYSA-N
MW343.80 g/mol
LogP0.97
Rot. Bonds4

About N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-methyltriazole-4-carboxamide

N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-methyltriazole-4-carboxamide (PubChem CID 100680707) has the molecular formula C12H14ClN5O3S and a molecular weight of 343.80 g/mol. Its IUPAC name is N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-methyltriazole-4-carboxamide
PubChem CID100680707
Molecular FormulaC12H14ClN5O3S
Molecular Weight343.80 g/mol
Exact Mass343.05
IUPAC NameN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-methyltriazole-4-carboxamide
SMILESCN(C)S(=O)(=O)c1cc(NC(=O)c2cnnn2C)ccc1Cl
InChIInChI=1S/C12H14ClN5O3S/c1-17(2)22(20,21)11-6-8(4-5-9(11)13)15-12(19)10-7-14-16-18(10)3/h4-7H,1-3H3,(H,15,19)
InChIKeyFZLMCHDDAUEVMZ-UHFFFAOYSA-N
XLogP0.97
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.80
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-methyltriazole-4-carboxamide 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

N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 55875545
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 43014157
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3,3-dimethylbutanamide
CID 9451643
N-[4-(benzylamino)-3-chlorophenyl]-3-methyltriazole-4-carboxamide
CID 136540023
5-bromo-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 155287668
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide
CID 5134597
4-acetyl-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 5033969
4-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(dimethylsulfamoyl)benzamide
CID 55515651
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-phenothiazin-10-ylpropanamide
CID 3314091
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-5-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide
CID 155287658
4-chloro-3-(dimethylsulfamoyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzamide
CID 55492919
1-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-(4-fluorophenyl)thiourea
CID 3398700

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-methyltriazole-4-carboxamide?
The IUPAC name of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-methyltriazole-4-carboxamide (CID 100680707) is N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-methyltriazole-4-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-methyltriazole-4-carboxamide?
The canonical SMILES for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-methyltriazole-4-carboxamide is CN(C)S(=O)(=O)c1cc(NC(=O)c2cnnn2C)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-methyltriazole-4-carboxamide?
The InChIKey is FZLMCHDDAUEVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O3S/c1-17(2)22(20,21)11-6-8(4-5-9(11)13)15-12(19)10-7-14-16-18(10)3/h4-7H,1-3H3,(H,15,19).
What are the key properties of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-methyltriazole-4-carboxamide?
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-methyltriazole-4-carboxamide has a molecular weight of 343.80 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-methyltriazole-4-carboxamide is sourced from PubChem (CID 100680707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).