N-[(2,4-dichlorophenyl)methyl]-2-[(4-sulfamoylphenyl)methylamino]acetamide

C16H17Cl2N3O3S — CID 8004272

IUPACN-[(2,4-dichlorophenyl)methyl]-2-[(4-sulfamoylphenyl)methylamino]acetamide
SMILESNS(=O)(=O)c1ccc(CNCC(=O)NCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H17Cl2N3O3S/c17-13-4-3-12(15(18)7-13)9-21-16(22)10-20-8-11-1-5-14(6-2-11)25(19,23)24/h1-7,20H,8-10H2,(H,21,22)(H2,19,23,24)
InChIKeyZPUSUOIQXWVDPN-UHFFFAOYSA-N
MW402.30 g/mol
LogP2.05
Rot. Bonds7

About N-[(2,4-dichlorophenyl)methyl]-2-[(4-sulfamoylphenyl)methylamino]acetamide

N-[(2,4-dichlorophenyl)methyl]-2-[(4-sulfamoylphenyl)methylamino]acetamide (PubChem CID 8004272) has the molecular formula C16H17Cl2N3O3S and a molecular weight of 402.30 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-[(4-sulfamoylphenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-[(4-sulfamoylphenyl)methylamino]acetamide
PubChem CID8004272
Molecular FormulaC16H17Cl2N3O3S
Molecular Weight402.30 g/mol
Exact Mass401.04
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-[(4-sulfamoylphenyl)methylamino]acetamide
SMILESNS(=O)(=O)c1ccc(CNCC(=O)NCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H17Cl2N3O3S/c17-13-4-3-12(15(18)7-13)9-21-16(22)10-20-8-11-1-5-14(6-2-11)25(19,23)24/h1-7,20H,8-10H2,(H,21,22)(H2,19,23,24)
InChIKeyZPUSUOIQXWVDPN-UHFFFAOYSA-N
XLogP2.05
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.30
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-[(4-sulfamoylphenyl)methylamino]acetamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-[(4-sulfamoylphenyl)methylamino]acetamide (CID 8004272) is N-[(2,4-dichlorophenyl)methyl]-2-[(4-sulfamoylphenyl)methylamino]acetamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-[(4-sulfamoylphenyl)methylamino]acetamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-[(4-sulfamoylphenyl)methylamino]acetamide is NS(=O)(=O)c1ccc(CNCC(=O)NCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-[(4-sulfamoylphenyl)methylamino]acetamide?
The InChIKey is ZPUSUOIQXWVDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O3S/c17-13-4-3-12(15(18)7-13)9-21-16(22)10-20-8-11-1-5-14(6-2-11)25(19,23)24/h1-7,20H,8-10H2,(H,21,22)(H2,19,23,24).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-[(4-sulfamoylphenyl)methylamino]acetamide?
N-[(2,4-dichlorophenyl)methyl]-2-[(4-sulfamoylphenyl)methylamino]acetamide has a molecular weight of 402.30 g/mol, XLogP of 2.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2-[(4-sulfamoylphenyl)methylamino]acetamide is sourced from PubChem (CID 8004272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).