4-chloro-N-(4-chlorophenyl)sulfonyl-2-propylbenzamide

C16H15Cl2NO3S — CID 11181426

IUPAC4-chloro-N-(4-chlorophenyl)sulfonyl-2-propylbenzamide
SMILESCCCc1cc(Cl)ccc1C(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H15Cl2NO3S/c1-2-3-11-10-13(18)6-9-15(11)16(20)19-23(21,22)14-7-4-12(17)5-8-14/h4-10H,2-3H2,1H3,(H,19,20)
InChIKeyXECMTIKIQOJOTD-UHFFFAOYSA-N
MW372.27 g/mol
LogP4.06
Rot. Bonds5

About 4-chloro-N-(4-chlorophenyl)sulfonyl-2-propylbenzamide

4-chloro-N-(4-chlorophenyl)sulfonyl-2-propylbenzamide (PubChem CID 11181426) has the molecular formula C16H15Cl2NO3S and a molecular weight of 372.27 g/mol. Its IUPAC name is 4-chloro-N-(4-chlorophenyl)sulfonyl-2-propylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(4-chlorophenyl)sulfonyl-2-propylbenzamide
PubChem CID11181426
Molecular FormulaC16H15Cl2NO3S
Molecular Weight372.27 g/mol
Exact Mass371.01
IUPAC Name4-chloro-N-(4-chlorophenyl)sulfonyl-2-propylbenzamide
SMILESCCCc1cc(Cl)ccc1C(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H15Cl2NO3S/c1-2-3-11-10-13(18)6-9-15(11)16(20)19-23(21,22)14-7-4-12(17)5-8-14/h4-10H,2-3H2,1H3,(H,19,20)
InChIKeyXECMTIKIQOJOTD-UHFFFAOYSA-N
XLogP4.06
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-propylbenzoyl chloride
CID 141018159
2,4-dichloro-N-(4-methylsulfanylphenyl)sulfonylbenzamide
CID 11474329
2,4-dichloro-N-[4-[(2,4-dichlorobenzoyl)sulfamoyl]phenyl]benzamide
CID 5064055
N-(4-chlorophenyl)sulfonyl-2,4-dimethoxybenzamide
CID 11279720
2-bromo-5-chloro-N-(4-ethoxyphenyl)sulfonylbenzamide
CID 78895773
N-(4-chlorophenyl)sulfonyl-5-(dimethylsulfamoyl)-2-fluorobenzamide
CID 110166676
N-(4-chlorophenyl)sulfonylacetamide
CID 139084564
N-(4-acetylphenyl)sulfonyl-2-bromo-5-chlorobenzamide
CID 78895597
5-chloro-N-methyl-2-propylbenzamide
CID 142083181
N-(1,3-benzodioxol-5-ylsulfonyl)-4-chloro-2-methylbenzamide
CID 10020985
2-[(3-chlorophenyl)methoxy]-N-(4-chlorophenyl)sulfonylbenzamide
CID 110161772
2,4-dichloro-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 4778992

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-chlorophenyl)sulfonyl-2-propylbenzamide?
The IUPAC name of 4-chloro-N-(4-chlorophenyl)sulfonyl-2-propylbenzamide (CID 11181426) is 4-chloro-N-(4-chlorophenyl)sulfonyl-2-propylbenzamide.
What is the SMILES notation for 4-chloro-N-(4-chlorophenyl)sulfonyl-2-propylbenzamide?
The canonical SMILES for 4-chloro-N-(4-chlorophenyl)sulfonyl-2-propylbenzamide is CCCc1cc(Cl)ccc1C(=O)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(4-chlorophenyl)sulfonyl-2-propylbenzamide?
The InChIKey is XECMTIKIQOJOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO3S/c1-2-3-11-10-13(18)6-9-15(11)16(20)19-23(21,22)14-7-4-12(17)5-8-14/h4-10H,2-3H2,1H3,(H,19,20).
What are the key properties of 4-chloro-N-(4-chlorophenyl)sulfonyl-2-propylbenzamide?
4-chloro-N-(4-chlorophenyl)sulfonyl-2-propylbenzamide has a molecular weight of 372.27 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-chlorophenyl)sulfonyl-2-propylbenzamide is sourced from PubChem (CID 11181426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).