N-[2-(4-bromopyrazol-1-yl)phenyl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide

C19H16BrN5O3S — CID 55699584

IUPACN-[2-(4-bromopyrazol-1-yl)phenyl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccccc1-n1cc(Br)cn1)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C19H16BrN5O3S/c1-24(29(27,28)16-8-6-14(10-21)7-9-16)13-19(26)23-17-4-2-3-5-18(17)25-12-15(20)11-22-25/h2-9,11-12H,13H2,1H3,(H,23,26)
InChIKeyMMBIKOZQCIPURM-UHFFFAOYSA-N
MW474.34 g/mol
LogP2.77
Rot. Bonds6

About N-[2-(4-bromopyrazol-1-yl)phenyl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide

N-[2-(4-bromopyrazol-1-yl)phenyl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide (PubChem CID 55699584) has the molecular formula C19H16BrN5O3S and a molecular weight of 474.34 g/mol. Its IUPAC name is N-[2-(4-bromopyrazol-1-yl)phenyl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[2-(4-bromopyrazol-1-yl)phenyl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide
PubChem CID55699584
Molecular FormulaC19H16BrN5O3S
Molecular Weight474.34 g/mol
Exact Mass473.02
IUPAC NameN-[2-(4-bromopyrazol-1-yl)phenyl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccccc1-n1cc(Br)cn1)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C19H16BrN5O3S/c1-24(29(27,28)16-8-6-14(10-21)7-9-16)13-19(26)23-17-4-2-3-5-18(17)25-12-15(20)11-22-25/h2-9,11-12H,13H2,1H3,(H,23,26)
InChIKeyMMBIKOZQCIPURM-UHFFFAOYSA-N
XLogP2.77
TPSA108.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[2-(4-ethylpiperazin-1-yl)phenyl]acetamide
CID 24664234
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]acetamide
CID 52662594
N-butan-2-yl-2-[[2-[(4-cyanophenyl)sulfonyl-methylamino]acetyl]amino]benzamide
CID 24665455
N-(2-cyanophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 925263
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide
CID 55975623
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide
CID 38904419
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-chlorophenyl)acetamide
CID 1281147
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(3,5-dichlorophenyl)acetamide
CID 31763987
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-ethylsulfonylphenyl)acetamide
CID 55973446
N-[2-(4-bromopyrazol-1-yl)phenyl]-4-(methylsulfonylmethyl)benzamide
CID 55699242
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 24664110
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 31807936

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromopyrazol-1-yl)phenyl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-[2-(4-bromopyrazol-1-yl)phenyl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide (CID 55699584) is N-[2-(4-bromopyrazol-1-yl)phenyl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-[2-(4-bromopyrazol-1-yl)phenyl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-[2-(4-bromopyrazol-1-yl)phenyl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide is CN(CC(=O)Nc1ccccc1-n1cc(Br)cn1)S(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of N-[2-(4-bromopyrazol-1-yl)phenyl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide?
The InChIKey is MMBIKOZQCIPURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN5O3S/c1-24(29(27,28)16-8-6-14(10-21)7-9-16)13-19(26)23-17-4-2-3-5-18(17)25-12-15(20)11-22-25/h2-9,11-12H,13H2,1H3,(H,23,26).
What are the key properties of N-[2-(4-bromopyrazol-1-yl)phenyl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide?
N-[2-(4-bromopyrazol-1-yl)phenyl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide has a molecular weight of 474.34 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromopyrazol-1-yl)phenyl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 55699584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).