2,5-dichloro-N-(2-ethyl-5-methylpyrazol-3-yl)benzenesulfonamide

C12H13Cl2N3O2S — CID 39854116

IUPAC2,5-dichloro-N-(2-ethyl-5-methylpyrazol-3-yl)benzenesulfonamide
SMILESCCn1nc(C)cc1NS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H13Cl2N3O2S/c1-3-17-12(6-8(2)15-17)16-20(18,19)11-7-9(13)4-5-10(11)14/h4-7,16H,3H2,1-2H3
InChIKeyNEFDCXKLOHPJLM-UHFFFAOYSA-N
MW334.23 g/mol
LogP3.32
Rot. Bonds4

About 2,5-dichloro-N-(2-ethyl-5-methylpyrazol-3-yl)benzenesulfonamide

2,5-dichloro-N-(2-ethyl-5-methylpyrazol-3-yl)benzenesulfonamide (PubChem CID 39854116) has the molecular formula C12H13Cl2N3O2S and a molecular weight of 334.23 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-ethyl-5-methylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-ethyl-5-methylpyrazol-3-yl)benzenesulfonamide
PubChem CID39854116
Molecular FormulaC12H13Cl2N3O2S
Molecular Weight334.23 g/mol
Exact Mass333.01
IUPAC Name2,5-dichloro-N-(2-ethyl-5-methylpyrazol-3-yl)benzenesulfonamide
SMILESCCn1nc(C)cc1NS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H13Cl2N3O2S/c1-3-17-12(6-8(2)15-17)16-20(18,19)11-7-9(13)4-5-10(11)14/h4-7,16H,3H2,1-2H3
InChIKeyNEFDCXKLOHPJLM-UHFFFAOYSA-N
XLogP3.32
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.23
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 2218577
2,5-dichloro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 717534
2-amino-5-chloro-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide
CID 54888795
2,5-dichloro-N-[(1-ethylpyrazol-3-yl)methyl]benzenesulfonamide
CID 22207837
2,5-dichloro-N-(6-ethyl-2-pyridinyl)benzenesulfonamide
CID 3868272
2,5-dichloro-N-[4-(3-methylpyrazol-1-yl)phenyl]benzenesulfonamide
CID 35521098
2,5-dichloro-N-(1,5-dimethylpyrazol-4-yl)benzenesulfonamide
CID 4769211
N-(5-bromo-4-methyl-2-pyridinyl)-2,5-dichlorobenzenesulfonamide
CID 79729132
2,5-dichloro-N-(3-chloropyrazin-2-yl)benzenesulfonamide
CID 102989905
2,5-dichloro-N-(2,5-dichlorophenyl)sulfonylbenzenesulfonamide
CID 121010955
2,5-dichloro-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22206532
2,5-dichloro-N-(2-methylquinolin-6-yl)benzenesulfonamide
CID 11280072

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-ethyl-5-methylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(2-ethyl-5-methylpyrazol-3-yl)benzenesulfonamide (CID 39854116) is 2,5-dichloro-N-(2-ethyl-5-methylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(2-ethyl-5-methylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(2-ethyl-5-methylpyrazol-3-yl)benzenesulfonamide is CCn1nc(C)cc1NS(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2-ethyl-5-methylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is NEFDCXKLOHPJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O2S/c1-3-17-12(6-8(2)15-17)16-20(18,19)11-7-9(13)4-5-10(11)14/h4-7,16H,3H2,1-2H3.
What are the key properties of 2,5-dichloro-N-(2-ethyl-5-methylpyrazol-3-yl)benzenesulfonamide?
2,5-dichloro-N-(2-ethyl-5-methylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 334.23 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-ethyl-5-methylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 39854116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).