3-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2-chloro-4-methylphenyl)propanamide

C17H18Cl2N2O4S — CID 86884406

IUPAC3-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2-chloro-4-methylphenyl)propanamide
SMILESCOc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(C)cc2Cl)cc1Cl
InChIInChI=1S/C17H18Cl2N2O4S/c1-11-3-5-15(13(18)9-11)21-17(22)7-8-20-26(23,24)12-4-6-16(25-2)14(19)10-12/h3-6,9-10,20H,7-8H2,1-2H3,(H,21,22)
InChIKeyCCADEDMDMBUYHM-UHFFFAOYSA-N
MW417.31 g/mol
LogP3.62
Rot. Bonds7

About 3-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2-chloro-4-methylphenyl)propanamide

3-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2-chloro-4-methylphenyl)propanamide (PubChem CID 86884406) has the molecular formula C17H18Cl2N2O4S and a molecular weight of 417.31 g/mol. Its IUPAC name is 3-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2-chloro-4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2-chloro-4-methylphenyl)propanamide
PubChem CID86884406
Molecular FormulaC17H18Cl2N2O4S
Molecular Weight417.31 g/mol
Exact Mass416.04
IUPAC Name3-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2-chloro-4-methylphenyl)propanamide
SMILESCOc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(C)cc2Cl)cc1Cl
InChIInChI=1S/C17H18Cl2N2O4S/c1-11-3-5-15(13(18)9-11)21-17(22)7-8-20-26(23,24)12-4-6-16(25-2)14(19)10-12/h3-6,9-10,20H,7-8H2,1-2H3,(H,21,22)
InChIKeyCCADEDMDMBUYHM-UHFFFAOYSA-N
XLogP3.62
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.31
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-methylphenyl)-3-[(4,5-dimethyl-2-nitrophenyl)sulfonylamino]propanamide
CID 86884394
N-(5-chloro-2-methoxyphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 26582388
3-chloro-N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 113102892
N-(2,4-dimethylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 4986521
N-(2,4-dimethylphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]acetamide
CID 112996411
3-[(2-chloro-5-fluorophenyl)sulfonylamino]-N-(2-chloro-4-methylphenyl)propanamide
CID 86888312
N-(3-chloro-4-methoxyphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24536423
N-(3-chloro-4-methoxyphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 26822921
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2-ethylphenyl)acetamide
CID 37497691
3-[(3-chlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide
CID 26538610
N-(5-acetamido-2-methoxyphenyl)-3-[(4-chlorophenyl)sulfonylamino]propanamide
CID 17481718
N-(2-chloro-4-methylphenyl)-3-[(2-methyl-4-nitrophenyl)sulfonylamino]propanamide
CID 86884405

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2-chloro-4-methylphenyl)propanamide?
The IUPAC name of 3-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2-chloro-4-methylphenyl)propanamide (CID 86884406) is 3-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2-chloro-4-methylphenyl)propanamide.
What is the SMILES notation for 3-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2-chloro-4-methylphenyl)propanamide?
The canonical SMILES for 3-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2-chloro-4-methylphenyl)propanamide is COc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(C)cc2Cl)cc1Cl.
What is the InChIKey of 3-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2-chloro-4-methylphenyl)propanamide?
The InChIKey is CCADEDMDMBUYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O4S/c1-11-3-5-15(13(18)9-11)21-17(22)7-8-20-26(23,24)12-4-6-16(25-2)14(19)10-12/h3-6,9-10,20H,7-8H2,1-2H3,(H,21,22).
What are the key properties of 3-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2-chloro-4-methylphenyl)propanamide?
3-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2-chloro-4-methylphenyl)propanamide has a molecular weight of 417.31 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2-chloro-4-methylphenyl)propanamide is sourced from PubChem (CID 86884406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).