N-(4-tert-butyl-2-chlorophenyl)-5-chloro-1,3-dimethylpyrazole-4-sulfonamide

C15H19Cl2N3O2S — CID 3666126

IUPACN-(4-tert-butyl-2-chlorophenyl)-5-chloro-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)Nc1ccc(C(C)(C)C)cc1Cl
InChIInChI=1S/C15H19Cl2N3O2S/c1-9-13(14(17)20(5)18-9)23(21,22)19-12-7-6-10(8-11(12)16)15(2,3)4/h6-8,19H,1-5H3
InChIKeyDCJVZBRAPQFKRX-UHFFFAOYSA-N
MW376.31 g/mol
LogP4.13
Rot. Bonds3

About N-(4-tert-butyl-2-chlorophenyl)-5-chloro-1,3-dimethylpyrazole-4-sulfonamide

N-(4-tert-butyl-2-chlorophenyl)-5-chloro-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 3666126) has the molecular formula C15H19Cl2N3O2S and a molecular weight of 376.31 g/mol. Its IUPAC name is N-(4-tert-butyl-2-chlorophenyl)-5-chloro-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-tert-butyl-2-chlorophenyl)-5-chloro-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID3666126
Molecular FormulaC15H19Cl2N3O2S
Molecular Weight376.31 g/mol
Exact Mass375.06
IUPAC NameN-(4-tert-butyl-2-chlorophenyl)-5-chloro-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)Nc1ccc(C(C)(C)C)cc1Cl
InChIInChI=1S/C15H19Cl2N3O2S/c1-9-13(14(17)20(5)18-9)23(21,22)19-12-7-6-10(8-11(12)16)15(2,3)4/h6-8,19H,1-5H3
InChIKeyDCJVZBRAPQFKRX-UHFFFAOYSA-N
XLogP4.13
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.31
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 55731063
5-chloro-N-[5-(hydroxymethyl)-2-methylphenyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 5193021
N-(4-chloro-2-methylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8822446
5-chloro-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 55879939
N-[2-(4-tert-butylphenoxy)ethyl]-5-chloro-1,3-dimethylpyrazole-4-sulfonamide
CID 55873493
N-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]-4-fluorophenyl]acetamide
CID 55895951
5-chloro-N-(2-methoxy-5-phenylphenyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 146545852
5-chloro-1,3-dimethyl-N-pyridin-3-ylpyrazole-4-sulfonamide
CID 25038632
5-chloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,3-dimethylpyrazole-4-sulfonohydrazide
CID 1476252
5-chloro-N-[(3,5-dimethylphenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 3326283
5-chloro-N-[4-(diethylamino)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 3507128
5-chloro-N-[4-(4-chlorophenoxy)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 3854841

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-2-chlorophenyl)-5-chloro-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(4-tert-butyl-2-chlorophenyl)-5-chloro-1,3-dimethylpyrazole-4-sulfonamide (CID 3666126) is N-(4-tert-butyl-2-chlorophenyl)-5-chloro-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-tert-butyl-2-chlorophenyl)-5-chloro-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(4-tert-butyl-2-chlorophenyl)-5-chloro-1,3-dimethylpyrazole-4-sulfonamide is Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1ccc(C(C)(C)C)cc1Cl.
What is the InChIKey of N-(4-tert-butyl-2-chlorophenyl)-5-chloro-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is DCJVZBRAPQFKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O2S/c1-9-13(14(17)20(5)18-9)23(21,22)19-12-7-6-10(8-11(12)16)15(2,3)4/h6-8,19H,1-5H3.
What are the key properties of N-(4-tert-butyl-2-chlorophenyl)-5-chloro-1,3-dimethylpyrazole-4-sulfonamide?
N-(4-tert-butyl-2-chlorophenyl)-5-chloro-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 376.31 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-2-chlorophenyl)-5-chloro-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 3666126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).