2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide

C20H18Cl2N4O3S — CID 55947118

IUPAC2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide
SMILESCc1nccc(CNC(=O)Cc2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)n1
InChIInChI=1S/C20H18Cl2N4O3S/c1-13-23-9-8-16(25-13)12-24-20(27)10-14-2-4-15(5-3-14)26-30(28,29)17-6-7-18(21)19(22)11-17/h2-9,11,26H,10,12H2,1H3,(H,24,27)
InChIKeyJNEISBPZPHRCQP-UHFFFAOYSA-N
MW465.36 g/mol
LogP3.75
Rot. Bonds7

About 2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide

2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide (PubChem CID 55947118) has the molecular formula C20H18Cl2N4O3S and a molecular weight of 465.36 g/mol. Its IUPAC name is 2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide
PubChem CID55947118
Molecular FormulaC20H18Cl2N4O3S
Molecular Weight465.36 g/mol
Exact Mass464.05
IUPAC Name2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide
SMILESCc1nccc(CNC(=O)Cc2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)n1
InChIInChI=1S/C20H18Cl2N4O3S/c1-13-23-9-8-16(25-13)12-24-20(27)10-14-2-4-15(5-3-14)26-30(28,29)17-6-7-18(21)19(22)11-17/h2-9,11,26H,10,12H2,1H3,(H,24,27)
InChIKeyJNEISBPZPHRCQP-UHFFFAOYSA-N
XLogP3.75
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.36
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-(thiophen-2-ylmethyl)acetamide
CID 35009367
2-(2,6-dichlorophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide
CID 47312763
ethyl N-[[2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]acetyl]amino]carbamate
CID 43002856
4-[(3,4-dichlorophenyl)sulfonylamino]-N-methoxybenzamide
CID 18154799
2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-(oxolan-2-ylmethyl)acetamide
CID 43005959
N-benzyl-2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-methylacetamide
CID 27666170
3,4-dichloro-N-[4-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]phenyl]benzenesulfonamide
CID 86877634
2-[4-[(3,5-dichlorophenyl)sulfonylamino]phenyl]-N-[(2-methoxy-3-pyridinyl)methyl]acetamide
CID 39248472
2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 27711021
5,6-dichloro-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide
CID 47298865
4-[(3,4-dichlorophenyl)sulfonylamino]-N-pentylbenzamide
CID 18279871
4-chloro-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide
CID 81226586

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide?
The IUPAC name of 2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide (CID 55947118) is 2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide?
The canonical SMILES for 2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide is Cc1nccc(CNC(=O)Cc2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)n1.
What is the InChIKey of 2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide?
The InChIKey is JNEISBPZPHRCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N4O3S/c1-13-23-9-8-16(25-13)12-24-20(27)10-14-2-4-15(5-3-14)26-30(28,29)17-6-7-18(21)19(22)11-17/h2-9,11,26H,10,12H2,1H3,(H,24,27).
What are the key properties of 2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide?
2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide has a molecular weight of 465.36 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide is sourced from PubChem (CID 55947118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).