N-(2-bromo-6-chloro-4-fluorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide

C10H7BrCl2FN3O2S — CID 106314697

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C10H7BrCl2FN3O2S/c1-17-10(8(13)4-15-17)20(18,19)16-9-6(11)2-5(14)3-7(9)12/h2-4,16H,1H3
InChIKeyOYXUBVNBLUPJBA-UHFFFAOYSA-N
MW403.06 g/mol
LogP3.43
Rot. Bonds3

About N-(2-bromo-6-chloro-4-fluorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide

N-(2-bromo-6-chloro-4-fluorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide (PubChem CID 106314697) has the molecular formula C10H7BrCl2FN3O2S and a molecular weight of 403.06 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide
PubChem CID106314697
Molecular FormulaC10H7BrCl2FN3O2S
Molecular Weight403.06 g/mol
Exact Mass400.88
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C10H7BrCl2FN3O2S/c1-17-10(8(13)4-15-17)20(18,19)16-9-6(11)2-5(14)3-7(9)12/h2-4,16H,1H3
InChIKeyOYXUBVNBLUPJBA-UHFFFAOYSA-N
XLogP3.43
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.06
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-3-methylimidazole-4-sulfonamide
CID 107608901
N-(2-amino-4,6-difluorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106313880
N-(4-bromo-2-methylphenyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106139139
N-(3-bromo-5-methylphenyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 114150340
N-(5-amino-2-bromophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106313884
N-(4-amino-3-bromophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106313893
2-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzenesulfonamide
CID 104922632
4-bromo-3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]benzoic acid
CID 106139112
N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 104922640
4-chloro-N-(3-hydroxyphenyl)-1-methylpyrazole-5-sulfonamide
CID 106139079
N-(2-bromo-6-chloro-4-fluorophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 107470577
2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-5-fluorobenzenecarbothioamide
CID 106314594

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide (CID 106314697) is N-(2-bromo-6-chloro-4-fluorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide is Cn1ncc(Cl)c1S(=O)(=O)Nc1c(Cl)cc(F)cc1Br.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide?
The InChIKey is OYXUBVNBLUPJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrCl2FN3O2S/c1-17-10(8(13)4-15-17)20(18,19)16-9-6(11)2-5(14)3-7(9)12/h2-4,16H,1H3.
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide?
N-(2-bromo-6-chloro-4-fluorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide has a molecular weight of 403.06 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-chloro-4-fluorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide is sourced from PubChem (CID 106314697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).