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

C17H18Cl2N2O3S — CID 2402359

IUPACN-(3,4-dichlorophenyl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1C
InChIInChI=1S/C17H18Cl2N2O3S/c1-11-3-5-14(9-12(11)2)25(23,24)20-8-7-17(22)21-13-4-6-15(18)16(19)10-13/h3-6,9-10,20H,7-8H2,1-2H3,(H,21,22)
InChIKeyGQPUPTBEZNWNFA-UHFFFAOYSA-N
MW401.32 g/mol
LogP3.92
Rot. Bonds6

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

N-(3,4-dichlorophenyl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide (PubChem CID 2402359) has the molecular formula C17H18Cl2N2O3S and a molecular weight of 401.32 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
PubChem CID2402359
Molecular FormulaC17H18Cl2N2O3S
Molecular Weight401.32 g/mol
Exact Mass400.04
IUPAC NameN-(3,4-dichlorophenyl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1C
InChIInChI=1S/C17H18Cl2N2O3S/c1-11-3-5-14(9-12(11)2)25(23,24)20-8-7-17(22)21-13-4-6-15(18)16(19)10-13/h3-6,9-10,20H,7-8H2,1-2H3,(H,21,22)
InChIKeyGQPUPTBEZNWNFA-UHFFFAOYSA-N
XLogP3.92
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.32
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-chloro-4-(dimethylamino)phenyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 55822561
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-iodo-4-methylphenyl)propanamide
CID 26890848
N-(3-chloro-4-methylphenyl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide
CID 112998194
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 9412008
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 26715751
N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 46424583
3-[(3,4-dimethylphenyl)sulfonylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 3300002
N-[4-[[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]butanamide
CID 55848949
N-(4-acetamidophenyl)-2-[(4-chloro-3-methylphenyl)sulfonylamino]acetamide
CID 112999779
3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-chloro-4-methylphenyl)propanamide
CID 24791899
3,4-dimethyl-N-[3-oxo-3-[2-(2,4,6-trichlorophenyl)hydrazinyl]propyl]benzenesulfonamide
CID 2415637
N-(3,4-dimethylphenyl)-3-(methanesulfonamido)propanamide
CID 47028344

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-(3,4-dichlorophenyl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide (CID 2402359) is N-(3,4-dichlorophenyl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide is Cc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1C.
What is the InChIKey of N-(3,4-dichlorophenyl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide?
The InChIKey is GQPUPTBEZNWNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O3S/c1-11-3-5-14(9-12(11)2)25(23,24)20-8-7-17(22)21-13-4-6-15(18)16(19)10-13/h3-6,9-10,20H,7-8H2,1-2H3,(H,21,22).
What are the key properties of N-(3,4-dichlorophenyl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide?
N-(3,4-dichlorophenyl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide has a molecular weight of 401.32 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 2402359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).