N-(2-bromo-5-chlorophenyl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide

C15H19BrClN3O2S — CID 100695748

IUPACN-(2-bromo-5-chlorophenyl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide
SMILESCc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C15H19BrClN3O2S/c1-9(2)8-20-11(4)15(10(3)18-20)23(21,22)19-14-7-12(17)5-6-13(14)16/h5-7,9,19H,8H2,1-4H3
InChIKeyMIRWZKWAGMPSFV-UHFFFAOYSA-N
MW420.76 g/mol
LogP4.37
Rot. Bonds5

About N-(2-bromo-5-chlorophenyl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide

N-(2-bromo-5-chlorophenyl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide (PubChem CID 100695748) has the molecular formula C15H19BrClN3O2S and a molecular weight of 420.76 g/mol. Its IUPAC name is N-(2-bromo-5-chlorophenyl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-5-chlorophenyl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide
PubChem CID100695748
Molecular FormulaC15H19BrClN3O2S
Molecular Weight420.76 g/mol
Exact Mass419.01
IUPAC NameN-(2-bromo-5-chlorophenyl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide
SMILESCc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C15H19BrClN3O2S/c1-9(2)8-20-11(4)15(10(3)18-20)23(21,22)19-14-7-12(17)5-6-13(14)16/h5-7,9,19H,8H2,1-4H3
InChIKeyMIRWZKWAGMPSFV-UHFFFAOYSA-N
XLogP4.37
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.76
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonylamino]-2-fluorobenzoic acid
CID 136529828
N-(2-bromo-5-chlorophenyl)-2-methylpropane-1-sulfonamide
CID 81273468
N-(2,5-dichloro-3-pyridinyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
CID 126818385
1-ethyl-3,5-dimethyl-N-[2-(2-methylpropyl)pyrazol-3-yl]pyrazole-4-sulfonamide
CID 71993047
N-(5-chloro-2-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 62062450
N-(5-bromo-4-chloro-3-pyridinyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
CID 75433919
N-[2-(ethylamino)ethyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride
CID 120708800
N-(4-chloro-2-methylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8822446
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide
CID 84600429
N-(2,5-difluorophenyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
CID 51699026
3-(aminomethyl)-N-(2-bromo-5-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 106073368
N-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride
CID 120713898

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chlorophenyl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide?
The IUPAC name of N-(2-bromo-5-chlorophenyl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide (CID 100695748) is N-(2-bromo-5-chlorophenyl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-bromo-5-chlorophenyl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-bromo-5-chlorophenyl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide is Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1cc(Cl)ccc1Br.
What is the InChIKey of N-(2-bromo-5-chlorophenyl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide?
The InChIKey is MIRWZKWAGMPSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrClN3O2S/c1-9(2)8-20-11(4)15(10(3)18-20)23(21,22)19-14-7-12(17)5-6-13(14)16/h5-7,9,19H,8H2,1-4H3.
What are the key properties of N-(2-bromo-5-chlorophenyl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide?
N-(2-bromo-5-chlorophenyl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide has a molecular weight of 420.76 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chlorophenyl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 100695748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).