N-benzyl-2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-methylacetamide

C22H20Cl2N2O3S — CID 27666170

IUPACN-benzyl-2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C22H20Cl2N2O3S/c1-26(15-17-5-3-2-4-6-17)22(27)13-16-7-9-18(10-8-16)25-30(28,29)19-11-12-20(23)21(24)14-19/h2-12,14,25H,13,15H2,1H3
InChIKeyMCICPCIGZXJVAL-UHFFFAOYSA-N
MW463.39 g/mol
LogP5.00
Rot. Bonds7

About N-benzyl-2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-methylacetamide

N-benzyl-2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-methylacetamide (PubChem CID 27666170) has the molecular formula C22H20Cl2N2O3S and a molecular weight of 463.39 g/mol. Its IUPAC name is N-benzyl-2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-methylacetamide
PubChem CID27666170
Molecular FormulaC22H20Cl2N2O3S
Molecular Weight463.39 g/mol
Exact Mass462.06
IUPAC NameN-benzyl-2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C22H20Cl2N2O3S/c1-26(15-17-5-3-2-4-6-17)22(27)13-16-7-9-18(10-8-16)25-30(28,29)19-11-12-20(23)21(24)14-19/h2-12,14,25H,13,15H2,1H3
InChIKeyMCICPCIGZXJVAL-UHFFFAOYSA-N
XLogP5.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.39
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethylphenyl)methyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methylacetamide
CID 30288758
2-[benzyl(methyl)amino]-5-[(3,4-dichlorophenyl)sulfonylamino]benzoic acid;2,2,2-trifluoroacetic acid
CID 146055100
ethyl N-[[2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]acetyl]amino]carbamate
CID 43002856
N-benzyl-N-methyl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 51147794
2-[benzyl(methyl)amino]-5-[(3-chloro-4-methoxyphenyl)sulfonylamino]benzoic acid
CID 50766551
N-[(3-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-N-methylacetamide
CID 112792374
N-(3-benzylphenyl)-3,4-dichlorobenzenesulfonamide
CID 3858982
2-[4-(naphthalen-2-ylsulfonylamino)phenyl]acetic acid
CID 2412067
2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-(thiophen-2-ylmethyl)acetamide
CID 35009367
3,4-dichloro-N-[4-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]phenyl]benzenesulfonamide
CID 86877634
N-methyl-2-phenyl-N-[(4-phenylphenyl)methyl]acetamide
CID 55580695
3,4-dichloro-N-(4-phenoxyphenyl)benzenesulfonamide
CID 21210578

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-methylacetamide?
The IUPAC name of N-benzyl-2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-methylacetamide (CID 27666170) is N-benzyl-2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-methylacetamide?
The canonical SMILES for N-benzyl-2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-methylacetamide is CN(Cc1ccccc1)C(=O)Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-benzyl-2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-methylacetamide?
The InChIKey is MCICPCIGZXJVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O3S/c1-26(15-17-5-3-2-4-6-17)22(27)13-16-7-9-18(10-8-16)25-30(28,29)19-11-12-20(23)21(24)14-19/h2-12,14,25H,13,15H2,1H3.
What are the key properties of N-benzyl-2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-methylacetamide?
N-benzyl-2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-methylacetamide has a molecular weight of 463.39 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-methylacetamide is sourced from PubChem (CID 27666170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).