N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-sulfonamide

C16H16BrCl2N5O2S — CID 22206459

IUPACN-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-sulfonamide
SMILESCCn1ncc(S(=O)(=O)Nc2nn(Cc3ccc(Cl)c(Cl)c3)cc2Br)c1C
InChIInChI=1S/C16H16BrCl2N5O2S/c1-3-24-10(2)15(7-20-24)27(25,26)22-16-12(17)9-23(21-16)8-11-4-5-13(18)14(19)6-11/h4-7,9H,3,8H2,1-2H3,(H,21,22)
InChIKeyRJWKBOSGTRNCTJ-UHFFFAOYSA-N
MW493.21 g/mol
LogP4.33
Rot. Bonds6

About N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-sulfonamide

N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-sulfonamide (PubChem CID 22206459) has the molecular formula C16H16BrCl2N5O2S and a molecular weight of 493.21 g/mol. Its IUPAC name is N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-sulfonamide
PubChem CID22206459
Molecular FormulaC16H16BrCl2N5O2S
Molecular Weight493.21 g/mol
Exact Mass490.96
IUPAC NameN-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-sulfonamide
SMILESCCn1ncc(S(=O)(=O)Nc2nn(Cc3ccc(Cl)c(Cl)c3)cc2Br)c1C
InChIInChI=1S/C16H16BrCl2N5O2S/c1-3-24-10(2)15(7-20-24)27(25,26)22-16-12(17)9-23(21-16)8-11-4-5-13(18)14(19)6-11/h4-7,9H,3,8H2,1-2H3,(H,21,22)
InChIKeyRJWKBOSGTRNCTJ-UHFFFAOYSA-N
XLogP4.33
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.21
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1,5-dimethylpyrazole-4-sulfonamide
CID 22206460
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 22205801
N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 17022679
N-(1-benzyl-4-chloropyrazol-3-yl)-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 22207203
N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22206449
(E)-N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide
CID 19345207
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 22201853
N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-bromo-5-methylpyrazol-1-yl)acetamide
CID 19517832
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 17022917
N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
CID 19552103
N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2,4-dimethylbenzenesulfonamide
CID 22206577
N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2,4-difluorobenzenesulfonamide
CID 22206582

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-sulfonamide (CID 22206459) is N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-sulfonamide is CCn1ncc(S(=O)(=O)Nc2nn(Cc3ccc(Cl)c(Cl)c3)cc2Br)c1C.
What is the InChIKey of N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-sulfonamide?
The InChIKey is RJWKBOSGTRNCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrCl2N5O2S/c1-3-24-10(2)15(7-20-24)27(25,26)22-16-12(17)9-23(21-16)8-11-4-5-13(18)14(19)6-11/h4-7,9H,3,8H2,1-2H3,(H,21,22).
What are the key properties of N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-sulfonamide?
N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-sulfonamide has a molecular weight of 493.21 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 22206459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).