N-(2-amino-6-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C11H13ClN4O2S — CID 62084614

IUPACN-(2-amino-6-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1c(N)cccc1Cl
InChIInChI=1S/C11H13ClN4O2S/c1-6-11(7(2)15-14-6)19(17,18)16-10-8(12)4-3-5-9(10)13/h3-5,16H,13H2,1-2H3,(H,14,15)
InChIKeyHZXXURMKYQFQCG-UHFFFAOYSA-N
MW300.77 g/mol
LogP2.06
Rot. Bonds3

About N-(2-amino-6-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-(2-amino-6-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 62084614) has the molecular formula C11H13ClN4O2S and a molecular weight of 300.77 g/mol. Its IUPAC name is N-(2-amino-6-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-6-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID62084614
Molecular FormulaC11H13ClN4O2S
Molecular Weight300.77 g/mol
Exact Mass300.04
IUPAC NameN-(2-amino-6-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1c(N)cccc1Cl
InChIInChI=1S/C11H13ClN4O2S/c1-6-11(7(2)15-14-6)19(17,18)16-10-8(12)4-3-5-9(10)13/h3-5,16H,13H2,1-2H3,(H,14,15)
InChIKeyHZXXURMKYQFQCG-UHFFFAOYSA-N
XLogP2.06
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(2-amino-6-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide 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-(2-amino-6-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 62086051
N-(3-amino-2-pyridinyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113391851
N-(3,4-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 26952341
N-(2-chloro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 64787560
N-(2-amino-4,6-dibromophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43550690
N-(3-amino-2,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 60972945
N-(2-amino-4-bromo-6-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43551023
N-[4-(aminomethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28754462
N-(3-chloro-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 2683530
1-amino-3-chloro-2-(sulfamoylamino)benzene
CID 114958705
N-[5-(3-chloro-2-methylanilino)-2-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113033492
N-(4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28785562

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-amino-6-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 62084614) is N-(2-amino-6-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-amino-6-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-amino-6-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)Nc1c(N)cccc1Cl.
What is the InChIKey of N-(2-amino-6-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is HZXXURMKYQFQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2S/c1-6-11(7(2)15-14-6)19(17,18)16-10-8(12)4-3-5-9(10)13/h3-5,16H,13H2,1-2H3,(H,14,15).
What are the key properties of N-(2-amino-6-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-(2-amino-6-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 300.77 g/mol, XLogP of 2.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 62084614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).