N-[(3,4-dichlorophenyl)methyl]-3-[(4-methylphenyl)sulfonylamino]propanamide

C17H18Cl2N2O3S — CID 4141822

IUPACN-[(3,4-dichlorophenyl)methyl]-3-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H18Cl2N2O3S/c1-12-2-5-14(6-3-12)25(23,24)21-9-8-17(22)20-11-13-4-7-15(18)16(19)10-13/h2-7,10,21H,8-9,11H2,1H3,(H,20,22)
InChIKeyCFVQGKUTKPEERZ-UHFFFAOYSA-N
MW401.32 g/mol
LogP3.29
Rot. Bonds7

About N-[(3,4-dichlorophenyl)methyl]-3-[(4-methylphenyl)sulfonylamino]propanamide

N-[(3,4-dichlorophenyl)methyl]-3-[(4-methylphenyl)sulfonylamino]propanamide (PubChem CID 4141822) has the molecular formula C17H18Cl2N2O3S and a molecular weight of 401.32 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-3-[(4-methylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-3-[(4-methylphenyl)sulfonylamino]propanamide
PubChem CID4141822
Molecular FormulaC17H18Cl2N2O3S
Molecular Weight401.32 g/mol
Exact Mass400.04
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-3-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H18Cl2N2O3S/c1-12-2-5-14(6-3-12)25(23,24)21-9-8-17(22)20-11-13-4-7-15(18)16(19)10-13/h2-7,10,21H,8-9,11H2,1H3,(H,20,22)
InChIKeyCFVQGKUTKPEERZ-UHFFFAOYSA-N
XLogP3.29
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.32
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-3-[(4-methylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-3-[(4-methylphenyl)sulfonylamino]propanamide (CID 4141822) is N-[(3,4-dichlorophenyl)methyl]-3-[(4-methylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-3-[(4-methylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-3-[(4-methylphenyl)sulfonylamino]propanamide is Cc1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-3-[(4-methylphenyl)sulfonylamino]propanamide?
The InChIKey is CFVQGKUTKPEERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O3S/c1-12-2-5-14(6-3-12)25(23,24)21-9-8-17(22)20-11-13-4-7-15(18)16(19)10-13/h2-7,10,21H,8-9,11H2,1H3,(H,20,22).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-3-[(4-methylphenyl)sulfonylamino]propanamide?
N-[(3,4-dichlorophenyl)methyl]-3-[(4-methylphenyl)sulfonylamino]propanamide has a molecular weight of 401.32 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-3-[(4-methylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 4141822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).