2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-pentan-3-ylbenzamide

C20H25ClN2O3S — CID 7962770

IUPAC2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-pentan-3-ylbenzamide
SMILESCCC(CC)NC(=O)c1cc(S(=O)(=O)N(CC)c2ccccc2)ccc1Cl
InChIInChI=1S/C20H25ClN2O3S/c1-4-15(5-2)22-20(24)18-14-17(12-13-19(18)21)27(25,26)23(6-3)16-10-8-7-9-11-16/h7-15H,4-6H2,1-3H3,(H,22,24)
InChIKeyOIQFIAHETCNYPC-UHFFFAOYSA-N
MW408.95 g/mol
LogP4.47
Rot. Bonds8

About 2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-pentan-3-ylbenzamide

2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-pentan-3-ylbenzamide (PubChem CID 7962770) has the molecular formula C20H25ClN2O3S and a molecular weight of 408.95 g/mol. Its IUPAC name is 2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-pentan-3-ylbenzamide.

Molecular Properties

Compound Name2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-pentan-3-ylbenzamide
PubChem CID7962770
Molecular FormulaC20H25ClN2O3S
Molecular Weight408.95 g/mol
Exact Mass408.13
IUPAC Name2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-pentan-3-ylbenzamide
SMILESCCC(CC)NC(=O)c1cc(S(=O)(=O)N(CC)c2ccccc2)ccc1Cl
InChIInChI=1S/C20H25ClN2O3S/c1-4-15(5-2)22-20(24)18-14-17(12-13-19(18)21)27(25,26)23(6-3)16-10-8-7-9-11-16/h7-15H,4-6H2,1-3H3,(H,22,24)
InChIKeyOIQFIAHETCNYPC-UHFFFAOYSA-N
XLogP4.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.95
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 7959591
2-chloro-N-[(1S)-1-cyclopropylethyl]-5-[ethyl(phenyl)sulfamoyl]benzamide
CID 8855582
2-chloro-N-[(1R)-1-cyclopropylethyl]-5-[ethyl(phenyl)sulfamoyl]benzamide
CID 8855589
2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2,4,6-trichlorophenyl)benzamide
CID 2344205
N-(3-acetylphenyl)-2-chloro-5-[ethyl(phenyl)sulfamoyl]benzamide
CID 134059345
3,4-dichloro-N-ethyl-N-phenylbenzenesulfonamide
CID 2234505
2-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-[ethyl(phenyl)sulfamoyl]benzamide
CID 55368520
2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide
CID 4814342
4-chloro-N-ethyl-3-[[[2-(2-methylphenoxy)acetyl]amino]carbamoyl]-N-phenylbenzenesulfonamide
CID 2594382
N-[(2R)-butan-2-yl]-2-chloro-5-(diethylsulfamoyl)benzamide
CID 2478774
[2-(2-methylpropanoylamino)-2-oxoethyl] 2-chloro-5-[ethyl(phenyl)sulfamoyl]benzoate
CID 2472808
2-[4-[ethyl(phenyl)sulfamoyl]phenoxy]-N-pentan-3-ylacetamide
CID 7613163

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-pentan-3-ylbenzamide?
The IUPAC name of 2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-pentan-3-ylbenzamide (CID 7962770) is 2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-pentan-3-ylbenzamide.
What is the SMILES notation for 2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-pentan-3-ylbenzamide?
The canonical SMILES for 2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-pentan-3-ylbenzamide is CCC(CC)NC(=O)c1cc(S(=O)(=O)N(CC)c2ccccc2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-pentan-3-ylbenzamide?
The InChIKey is OIQFIAHETCNYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3S/c1-4-15(5-2)22-20(24)18-14-17(12-13-19(18)21)27(25,26)23(6-3)16-10-8-7-9-11-16/h7-15H,4-6H2,1-3H3,(H,22,24).
What are the key properties of 2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-pentan-3-ylbenzamide?
2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-pentan-3-ylbenzamide has a molecular weight of 408.95 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-pentan-3-ylbenzamide is sourced from PubChem (CID 7962770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).