3-[(2-chlorophenyl)sulfonylamino]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]propanamide

C19H24ClN3O5S2 — CID 55948237

IUPAC3-[(2-chlorophenyl)sulfonylamino]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]propanamide
SMILESCC(NC(=O)CCNS(=O)(=O)c1ccccc1Cl)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C19H24ClN3O5S2/c1-14(15-8-10-16(11-9-15)30(27,28)23(2)3)22-19(24)12-13-21-29(25,26)18-7-5-4-6-17(18)20/h4-11,14,21H,12-13H2,1-3H3,(H,22,24)
InChIKeyBNHBETXKNRNNGC-UHFFFAOYSA-N
MW474.00 g/mol
LogP2.14
Rot. Bonds9

About 3-[(2-chlorophenyl)sulfonylamino]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]propanamide

3-[(2-chlorophenyl)sulfonylamino]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]propanamide (PubChem CID 55948237) has the molecular formula C19H24ClN3O5S2 and a molecular weight of 474.00 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)sulfonylamino]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)sulfonylamino]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]propanamide
PubChem CID55948237
Molecular FormulaC19H24ClN3O5S2
Molecular Weight474.00 g/mol
Exact Mass473.08
IUPAC Name3-[(2-chlorophenyl)sulfonylamino]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]propanamide
SMILESCC(NC(=O)CCNS(=O)(=O)c1ccccc1Cl)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C19H24ClN3O5S2/c1-14(15-8-10-16(11-9-15)30(27,28)23(2)3)22-19(24)12-13-21-29(25,26)18-7-5-4-6-17(18)20/h4-11,14,21H,12-13H2,1-3H3,(H,22,24)
InChIKeyBNHBETXKNRNNGC-UHFFFAOYSA-N
XLogP2.14
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.00
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2,5-dimethylphenyl)sulfonylamino]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]propanamide
CID 55893631
N-[1-(3-bromophenyl)ethyl]-3-[(2-chlorophenyl)sulfonylamino]propanamide
CID 55576753
N-[1-(2-chlorophenyl)ethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24543985
3-[(2-chlorophenyl)sulfonylamino]-N-[1-[2-(methanesulfonamido)phenyl]ethyl]propanamide
CID 55933849
3-(benzenesulfonamido)-N-[1-(3,4-dichlorophenyl)ethyl]propanamide
CID 43006985
4-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]butanamide
CID 119299114
N-[1-(4-bromophenyl)propyl]-3-[(2-chlorophenyl)sulfonylamino]propanamide
CID 55349114
3-(benzenesulfonamido)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43005594
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]nonanamide
CID 55893382
7-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]heptanamide
CID 119741155
2,3-dichloro-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]benzamide
CID 55894518
3-[(4-chlorophenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)propanamide
CID 24639242

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)sulfonylamino]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]propanamide?
The IUPAC name of 3-[(2-chlorophenyl)sulfonylamino]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]propanamide (CID 55948237) is 3-[(2-chlorophenyl)sulfonylamino]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]propanamide.
What is the SMILES notation for 3-[(2-chlorophenyl)sulfonylamino]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]propanamide?
The canonical SMILES for 3-[(2-chlorophenyl)sulfonylamino]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]propanamide is CC(NC(=O)CCNS(=O)(=O)c1ccccc1Cl)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 3-[(2-chlorophenyl)sulfonylamino]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]propanamide?
The InChIKey is BNHBETXKNRNNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O5S2/c1-14(15-8-10-16(11-9-15)30(27,28)23(2)3)22-19(24)12-13-21-29(25,26)18-7-5-4-6-17(18)20/h4-11,14,21H,12-13H2,1-3H3,(H,22,24).
What are the key properties of 3-[(2-chlorophenyl)sulfonylamino]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]propanamide?
3-[(2-chlorophenyl)sulfonylamino]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]propanamide has a molecular weight of 474.00 g/mol, XLogP of 2.14, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)sulfonylamino]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]propanamide is sourced from PubChem (CID 55948237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).