3,4-dichloro-N-(5-methyl-1-phenylpyrazol-3-yl)benzenesulfonamide

C16H13Cl2N3O2S — CID 3687695

IUPAC3,4-dichloro-N-(5-methyl-1-phenylpyrazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)nn1-c1ccccc1
InChIInChI=1S/C16H13Cl2N3O2S/c1-11-9-16(19-21(11)12-5-3-2-4-6-12)20-24(22,23)13-7-8-14(17)15(18)10-13/h2-10H,1H3,(H,19,20)
InChIKeyVKZMEUKCVNYIMU-UHFFFAOYSA-N
MW382.27 g/mol
LogP4.29
Rot. Bonds4

About 3,4-dichloro-N-(5-methyl-1-phenylpyrazol-3-yl)benzenesulfonamide

3,4-dichloro-N-(5-methyl-1-phenylpyrazol-3-yl)benzenesulfonamide (PubChem CID 3687695) has the molecular formula C16H13Cl2N3O2S and a molecular weight of 382.27 g/mol. Its IUPAC name is 3,4-dichloro-N-(5-methyl-1-phenylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-(5-methyl-1-phenylpyrazol-3-yl)benzenesulfonamide
PubChem CID3687695
Molecular FormulaC16H13Cl2N3O2S
Molecular Weight382.27 g/mol
Exact Mass381.01
IUPAC Name3,4-dichloro-N-(5-methyl-1-phenylpyrazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)nn1-c1ccccc1
InChIInChI=1S/C16H13Cl2N3O2S/c1-11-9-16(19-21(11)12-5-3-2-4-6-12)20-24(22,23)13-7-8-14(17)15(18)10-13/h2-10H,1H3,(H,19,20)
InChIKeyVKZMEUKCVNYIMU-UHFFFAOYSA-N
XLogP4.29
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.27
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-[2-ethyl-1-(2-phenylpyrazol-3-yl)butyl]benzenesulfonamide
CID 11155192
N-(3,4-dichlorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773571
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzenesulfonamide
CID 972247
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22202650
3,4-dichloro-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide
CID 8500653
3,4-dichloro-N-(6-chloropyridazin-3-yl)benzenesulfonamide
CID 113235700
methyl 4-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate
CID 138994557
N-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-4-chlorobenzenesulfonamide
CID 146094814
3-chloro-4-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 25041271
3,4-dichloro-N-(5-chloro-2-pyridinyl)benzenesulfonamide
CID 74229116
3,4-dichloro-N-(4-phenoxyphenyl)benzenesulfonamide
CID 21210578
N-[6-(tert-butylamino)pyridazin-3-yl]-3,4-dichlorobenzenesulfonamide
CID 113044323

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(5-methyl-1-phenylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-(5-methyl-1-phenylpyrazol-3-yl)benzenesulfonamide (CID 3687695) is 3,4-dichloro-N-(5-methyl-1-phenylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-(5-methyl-1-phenylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-(5-methyl-1-phenylpyrazol-3-yl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)nn1-c1ccccc1.
What is the InChIKey of 3,4-dichloro-N-(5-methyl-1-phenylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is VKZMEUKCVNYIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O2S/c1-11-9-16(19-21(11)12-5-3-2-4-6-12)20-24(22,23)13-7-8-14(17)15(18)10-13/h2-10H,1H3,(H,19,20).
What are the key properties of 3,4-dichloro-N-(5-methyl-1-phenylpyrazol-3-yl)benzenesulfonamide?
3,4-dichloro-N-(5-methyl-1-phenylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 382.27 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(5-methyl-1-phenylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 3687695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).