N-(3-bromo-5-methylphenyl)-4-chloro-1-methylpyrazole-5-sulfonamide

C11H11BrClN3O2S — CID 114150340

IUPACN-(3-bromo-5-methylphenyl)-4-chloro-1-methylpyrazole-5-sulfonamide
SMILESCc1cc(Br)cc(NS(=O)(=O)c2c(Cl)cnn2C)c1
InChIInChI=1S/C11H11BrClN3O2S/c1-7-3-8(12)5-9(4-7)15-19(17,18)11-10(13)6-14-16(11)2/h3-6,15H,1-2H3
InChIKeyVJFCLWJCVNTWAK-UHFFFAOYSA-N
MW364.65 g/mol
LogP2.95
Rot. Bonds3

About N-(3-bromo-5-methylphenyl)-4-chloro-1-methylpyrazole-5-sulfonamide

N-(3-bromo-5-methylphenyl)-4-chloro-1-methylpyrazole-5-sulfonamide (PubChem CID 114150340) has the molecular formula C11H11BrClN3O2S and a molecular weight of 364.65 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-4-chloro-1-methylpyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-4-chloro-1-methylpyrazole-5-sulfonamide
PubChem CID114150340
Molecular FormulaC11H11BrClN3O2S
Molecular Weight364.65 g/mol
Exact Mass362.94
IUPAC NameN-(3-bromo-5-methylphenyl)-4-chloro-1-methylpyrazole-5-sulfonamide
SMILESCc1cc(Br)cc(NS(=O)(=O)c2c(Cl)cnn2C)c1
InChIInChI=1S/C11H11BrClN3O2S/c1-7-3-8(12)5-9(4-7)15-19(17,18)11-10(13)6-14-16(11)2/h3-6,15H,1-2H3
InChIKeyVJFCLWJCVNTWAK-UHFFFAOYSA-N
XLogP2.95
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.65
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-methylphenyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106139139
N-(4-amino-3-bromophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106313893
N-(2-bromo-6-chloro-4-fluorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106314697
4-chloro-N-(3-hydroxyphenyl)-1-methylpyrazole-5-sulfonamide
CID 106139079
4-chloro-N-(4-cyanophenyl)-1-methylpyrazole-5-sulfonamide
CID 106139096
N-(5-amino-2-bromophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106313884
4-chloro-N-(4-hydroxy-2-methylphenyl)-1-methylpyrazole-5-sulfonamide
CID 106147360
4-bromo-3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]benzoic acid
CID 106139112
N-(5-amino-2-chlorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106313783
N-[(3-bromophenyl)methyl]-4-chloro-1-methylpyrazole-5-sulfonamide
CID 114150447
4-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide
CID 106315690
3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-5-methyl-1H-pyrrole-2-carboxylic acid
CID 106314240

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-4-chloro-1-methylpyrazole-5-sulfonamide?
The IUPAC name of N-(3-bromo-5-methylphenyl)-4-chloro-1-methylpyrazole-5-sulfonamide (CID 114150340) is N-(3-bromo-5-methylphenyl)-4-chloro-1-methylpyrazole-5-sulfonamide.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-4-chloro-1-methylpyrazole-5-sulfonamide?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-4-chloro-1-methylpyrazole-5-sulfonamide is Cc1cc(Br)cc(NS(=O)(=O)c2c(Cl)cnn2C)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-4-chloro-1-methylpyrazole-5-sulfonamide?
The InChIKey is VJFCLWJCVNTWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClN3O2S/c1-7-3-8(12)5-9(4-7)15-19(17,18)11-10(13)6-14-16(11)2/h3-6,15H,1-2H3.
What are the key properties of N-(3-bromo-5-methylphenyl)-4-chloro-1-methylpyrazole-5-sulfonamide?
N-(3-bromo-5-methylphenyl)-4-chloro-1-methylpyrazole-5-sulfonamide has a molecular weight of 364.65 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)-4-chloro-1-methylpyrazole-5-sulfonamide is sourced from PubChem (CID 114150340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).