3-[(4-chlorophenyl)sulfonylamino]-N-[4-(propylsulfamoyl)phenyl]propanamide

C18H22ClN3O5S2 — CID 17225792

IUPAC3-[(4-chlorophenyl)sulfonylamino]-N-[4-(propylsulfamoyl)phenyl]propanamide
SMILESCCCNS(=O)(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H22ClN3O5S2/c1-2-12-20-28(24,25)17-9-5-15(6-10-17)22-18(23)11-13-21-29(26,27)16-7-3-14(19)4-8-16/h3-10,20-21H,2,11-13H2,1H3,(H,22,23)
InChIKeyYBJYQTMJABRGAM-UHFFFAOYSA-N
MW459.98 g/mol
LogP2.34
Rot. Bonds10

About 3-[(4-chlorophenyl)sulfonylamino]-N-[4-(propylsulfamoyl)phenyl]propanamide

3-[(4-chlorophenyl)sulfonylamino]-N-[4-(propylsulfamoyl)phenyl]propanamide (PubChem CID 17225792) has the molecular formula C18H22ClN3O5S2 and a molecular weight of 459.98 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfonylamino]-N-[4-(propylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfonylamino]-N-[4-(propylsulfamoyl)phenyl]propanamide
PubChem CID17225792
Molecular FormulaC18H22ClN3O5S2
Molecular Weight459.98 g/mol
Exact Mass459.07
IUPAC Name3-[(4-chlorophenyl)sulfonylamino]-N-[4-(propylsulfamoyl)phenyl]propanamide
SMILESCCCNS(=O)(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H22ClN3O5S2/c1-2-12-20-28(24,25)17-9-5-15(6-10-17)22-18(23)11-13-21-29(26,27)16-7-3-14(19)4-8-16/h3-10,20-21H,2,11-13H2,1H3,(H,22,23)
InChIKeyYBJYQTMJABRGAM-UHFFFAOYSA-N
XLogP2.34
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.98
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(propylsulfamoyl)phenyl]pentanamide
CID 17321429
N-(4-chlorophenyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide
CID 5185109
3-[(4-chlorophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
CID 17225585
7-amino-N-[4-(propylsulfamoyl)phenyl]heptanamide;hydrochloride
CID 119720435
3-[(4-chlorophenyl)sulfonylamino]-N-ethylpropanamide
CID 17225661
2-(4-chlorophenyl)-N-[4-(hexylsulfamoyl)phenyl]acetamide
CID 4143935
2,5-dichloro-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 17320181
3-[(4-methylphenyl)sulfonylamino]-N-(4-propylphenyl)propanamide
CID 9294290
3-[(4-chlorophenyl)sulfonylamino]-N-pentan-3-ylpropanamide
CID 17225690
4-chloro-N-[[4-(propylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 4932898
3-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dimethylphenyl)propanamide
CID 17225634
3-[(4-fluorophenyl)sulfonylamino]-N-[4-(hexylsulfamoyl)phenyl]propanamide
CID 17192252

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N-[4-(propylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N-[4-(propylsulfamoyl)phenyl]propanamide (CID 17225792) is 3-[(4-chlorophenyl)sulfonylamino]-N-[4-(propylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfonylamino]-N-[4-(propylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3-[(4-chlorophenyl)sulfonylamino]-N-[4-(propylsulfamoyl)phenyl]propanamide is CCCNS(=O)(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)sulfonylamino]-N-[4-(propylsulfamoyl)phenyl]propanamide?
The InChIKey is YBJYQTMJABRGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O5S2/c1-2-12-20-28(24,25)17-9-5-15(6-10-17)22-18(23)11-13-21-29(26,27)16-7-3-14(19)4-8-16/h3-10,20-21H,2,11-13H2,1H3,(H,22,23).
What are the key properties of 3-[(4-chlorophenyl)sulfonylamino]-N-[4-(propylsulfamoyl)phenyl]propanamide?
3-[(4-chlorophenyl)sulfonylamino]-N-[4-(propylsulfamoyl)phenyl]propanamide has a molecular weight of 459.98 g/mol, XLogP of 2.34, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)sulfonylamino]-N-[4-(propylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 17225792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).