N-(3,4-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C11H11Cl2N3O2S — CID 26952341

IUPACN-(3,4-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H11Cl2N3O2S/c1-6-11(7(2)15-14-6)19(17,18)16-8-3-4-9(12)10(13)5-8/h3-5,16H,1-2H3,(H,14,15)
InChIKeyYCGDWBBAPAWPQZ-UHFFFAOYSA-N
MW320.20 g/mol
LogP3.13
Rot. Bonds3

About N-(3,4-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-(3,4-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 26952341) has the molecular formula C11H11Cl2N3O2S and a molecular weight of 320.20 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID26952341
Molecular FormulaC11H11Cl2N3O2S
Molecular Weight320.20 g/mol
Exact Mass318.99
IUPAC NameN-(3,4-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H11Cl2N3O2S/c1-6-11(7(2)15-14-6)19(17,18)16-8-3-4-9(12)10(13)5-8/h3-5,16H,1-2H3,(H,14,15)
InChIKeyYCGDWBBAPAWPQZ-UHFFFAOYSA-N
XLogP3.13
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.20
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 2683530
N-(3-chloro-4-propan-2-yloxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 38943082
N-(4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28785562
N-(3,5-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 866897
N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113018956
N-[4-(3,4-dimethylanilino)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 112986378
N-[4-(aminomethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28754462
N-(2-chloro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 64787560
3,5-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-pyrazole-4-sulfonamide
CID 63901960
N-[4-(1-hydroxyethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43417190
N-(3,4-dichlorophenyl)-3-methyl-2H-indazole-5-sulfonamide
CID 22567293
3,5-dimethyl-N-pyrimidin-5-yl-1H-pyrazole-4-sulfonamide
CID 113462575

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(3,4-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 26952341) is N-(3,4-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is YCGDWBBAPAWPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O2S/c1-6-11(7(2)15-14-6)19(17,18)16-8-3-4-9(12)10(13)5-8/h3-5,16H,1-2H3,(H,14,15).
What are the key properties of N-(3,4-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-(3,4-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 320.20 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 26952341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).