2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide

C19H18BrClN4O3S — CID 38936658

IUPAC2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
SMILESCc1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C19H18BrClN4O3S/c1-13-10-18(25(23-13)16-5-3-4-15(21)11-16)22-19(26)12-24(2)29(27,28)17-8-6-14(20)7-9-17/h3-11H,12H2,1-2H3,(H,22,26)
InChIKeyTUVWIKLJRURRQU-UHFFFAOYSA-N
MW497.80 g/mol
LogP3.86
Rot. Bonds6

About 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide

2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide (PubChem CID 38936658) has the molecular formula C19H18BrClN4O3S and a molecular weight of 497.80 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
PubChem CID38936658
Molecular FormulaC19H18BrClN4O3S
Molecular Weight497.80 g/mol
Exact Mass496.00
IUPAC Name2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
SMILESCc1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C19H18BrClN4O3S/c1-13-10-18(25(23-13)16-5-3-4-15(21)11-16)22-19(26)12-24(2)29(27,28)17-8-6-14(20)7-9-17/h3-11H,12H2,1-2H3,(H,22,26)
InChIKeyTUVWIKLJRURRQU-UHFFFAOYSA-N
XLogP3.86
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.80
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide
CID 55543607
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide
CID 55503346
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide
CID 55548337
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]acetamide
CID 55534083
2-amino-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 110459429
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 112788270
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 55481157
2-(4-aminophenyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 110452122
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(3-pyrazol-1-ylphenyl)acetamide
CID 55766018
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-chlorophenyl)acetamide
CID 1281147
2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 55635543
4-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 2352147

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide (CID 38936658) is 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide is Cc1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)n(-c2cccc(Cl)c2)n1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide?
The InChIKey is TUVWIKLJRURRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrClN4O3S/c1-13-10-18(25(23-13)16-5-3-4-15(21)11-16)22-19(26)12-24(2)29(27,28)17-8-6-14(20)7-9-17/h3-11H,12H2,1-2H3,(H,22,26).
What are the key properties of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide?
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide has a molecular weight of 497.80 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide is sourced from PubChem (CID 38936658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).