2-[(4-bromophenyl)sulfonyl-methylamino]-N-(3-pyrazol-1-ylphenyl)acetamide

C18H17BrN4O3S — CID 55766018

IUPAC2-[(4-bromophenyl)sulfonyl-methylamino]-N-(3-pyrazol-1-ylphenyl)acetamide
SMILESCN(CC(=O)Nc1cccc(-n2cccn2)c1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H17BrN4O3S/c1-22(27(25,26)17-8-6-14(19)7-9-17)13-18(24)21-15-4-2-5-16(12-15)23-11-3-10-20-23/h2-12H,13H2,1H3,(H,21,24)
InChIKeyCVSGUUAPTAVBHT-UHFFFAOYSA-N
MW449.33 g/mol
LogP2.89
Rot. Bonds6

About 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(3-pyrazol-1-ylphenyl)acetamide

2-[(4-bromophenyl)sulfonyl-methylamino]-N-(3-pyrazol-1-ylphenyl)acetamide (PubChem CID 55766018) has the molecular formula C18H17BrN4O3S and a molecular weight of 449.33 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(3-pyrazol-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-methylamino]-N-(3-pyrazol-1-ylphenyl)acetamide
PubChem CID55766018
Molecular FormulaC18H17BrN4O3S
Molecular Weight449.33 g/mol
Exact Mass448.02
IUPAC Name2-[(4-bromophenyl)sulfonyl-methylamino]-N-(3-pyrazol-1-ylphenyl)acetamide
SMILESCN(CC(=O)Nc1cccc(-n2cccn2)c1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H17BrN4O3S/c1-22(27(25,26)17-8-6-14(19)7-9-17)13-18(24)21-15-4-2-5-16(12-15)23-11-3-10-20-23/h2-12H,13H2,1H3,(H,21,24)
InChIKeyCVSGUUAPTAVBHT-UHFFFAOYSA-N
XLogP2.89
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-pyrazol-1-ylphenyl)acetamide
CID 46975008
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(3-fluoro-4-pyrazol-1-ylphenyl)acetamide
CID 55892273
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 24664110
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]acetamide
CID 38950281
N-(3-acetamidophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 27055361
3-[(4-acetylphenyl)sulfonylamino]-N-(3-pyrazol-1-ylphenyl)propanamide
CID 55838147
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 38936658
N-[3-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]propanamide
CID 38024472
3-(ethylamino)-N-(3-pyrazol-1-ylphenyl)propanamide
CID 62832323
N-[4-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]phenyl]-3-methylbutanamide
CID 38950843
5-oxo-5-(3-pyrazol-1-ylanilino)pentanoic acid
CID 60940474
2-[benzenesulfonyl(methyl)amino]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide
CID 55711130

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(3-pyrazol-1-ylphenyl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(3-pyrazol-1-ylphenyl)acetamide (CID 55766018) is 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(3-pyrazol-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(3-pyrazol-1-ylphenyl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(3-pyrazol-1-ylphenyl)acetamide is CN(CC(=O)Nc1cccc(-n2cccn2)c1)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(3-pyrazol-1-ylphenyl)acetamide?
The InChIKey is CVSGUUAPTAVBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4O3S/c1-22(27(25,26)17-8-6-14(19)7-9-17)13-18(24)21-15-4-2-5-16(12-15)23-11-3-10-20-23/h2-12H,13H2,1H3,(H,21,24).
What are the key properties of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(3-pyrazol-1-ylphenyl)acetamide?
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(3-pyrazol-1-ylphenyl)acetamide has a molecular weight of 449.33 g/mol, XLogP of 2.89, 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-(3-pyrazol-1-ylphenyl)acetamide is sourced from PubChem (CID 55766018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).