2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide

C19H19BrN4O3S — CID 55702442

IUPAC2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
SMILESCN(CC(=O)NCc1cnn(-c2ccccc2)c1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C19H19BrN4O3S/c1-23(28(26,27)18-9-7-16(20)8-10-18)14-19(25)21-11-15-12-22-24(13-15)17-5-3-2-4-6-17/h2-10,12-13H,11,14H2,1H3,(H,21,25)
InChIKeyWXGUHGDESKUDGJ-UHFFFAOYSA-N
MW463.36 g/mol
LogP2.57
Rot. Bonds7

About 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide

2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide (PubChem CID 55702442) has the molecular formula C19H19BrN4O3S and a molecular weight of 463.36 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
PubChem CID55702442
Molecular FormulaC19H19BrN4O3S
Molecular Weight463.36 g/mol
Exact Mass462.04
IUPAC Name2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
SMILESCN(CC(=O)NCc1cnn(-c2ccccc2)c1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C19H19BrN4O3S/c1-23(28(26,27)18-9-7-16(20)8-10-18)14-19(25)21-11-15-12-22-24(13-15)17-5-3-2-4-6-17/h2-10,12-13H,11,14H2,1H3,(H,21,25)
InChIKeyWXGUHGDESKUDGJ-UHFFFAOYSA-N
XLogP2.57
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzenesulfonyl(methyl)amino]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide
CID 55711130
2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 37340334
N-benzyl-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 966803
N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 17491199
2-[(4-bromophenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 27276319
2-chloro-5-(diethylsulfamoyl)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 17483208
5-bromo-2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 134036052
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 35369573
3-[[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]methyl]-N-ethylbenzamide
CID 55848509
2-[(4-bromophenyl)sulfonyl-methylamino]-N-propylacetamide
CID 2190609
N-[(1-phenylpyrazol-4-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 60718562
1-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 26249383

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide (CID 55702442) is 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide is CN(CC(=O)NCc1cnn(-c2ccccc2)c1)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The InChIKey is WXGUHGDESKUDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4O3S/c1-23(28(26,27)18-9-7-16(20)8-10-18)14-19(25)21-11-15-12-22-24(13-15)17-5-3-2-4-6-17/h2-10,12-13H,11,14H2,1H3,(H,21,25).
What are the key properties of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide has a molecular weight of 463.36 g/mol, XLogP of 2.57, 7 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-[(1-phenylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 55702442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).