3-(benzylsulfamoyl)-4-chloro-N-(3-ethoxypropyl)benzamide

C19H23ClN2O4S — CID 24540711

IUPAC3-(benzylsulfamoyl)-4-chloro-N-(3-ethoxypropyl)benzamide
SMILESCCOCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C19H23ClN2O4S/c1-2-26-12-6-11-21-19(23)16-9-10-17(20)18(13-16)27(24,25)22-14-15-7-4-3-5-8-15/h3-5,7-10,13,22H,2,6,11-12,14H2,1H3,(H,21,23)
InChIKeyIXOVIFQWOLJXHN-UHFFFAOYSA-N
MW410.92 g/mol
LogP2.97
Rot. Bonds10

About 3-(benzylsulfamoyl)-4-chloro-N-(3-ethoxypropyl)benzamide

3-(benzylsulfamoyl)-4-chloro-N-(3-ethoxypropyl)benzamide (PubChem CID 24540711) has the molecular formula C19H23ClN2O4S and a molecular weight of 410.92 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-4-chloro-N-(3-ethoxypropyl)benzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-4-chloro-N-(3-ethoxypropyl)benzamide
PubChem CID24540711
Molecular FormulaC19H23ClN2O4S
Molecular Weight410.92 g/mol
Exact Mass410.11
IUPAC Name3-(benzylsulfamoyl)-4-chloro-N-(3-ethoxypropyl)benzamide
SMILESCCOCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C19H23ClN2O4S/c1-2-26-12-6-11-21-19(23)16-9-10-17(20)18(13-16)27(24,25)22-14-15-7-4-3-5-8-15/h3-5,7-10,13,22H,2,6,11-12,14H2,1H3,(H,21,23)
InChIKeyIXOVIFQWOLJXHN-UHFFFAOYSA-N
XLogP2.97
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.92
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(benzylsulfamoyl)-4-chloro-N-methoxybenzamide
CID 52563097
4-chloro-N-(3-ethoxypropyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 24540699
N-[2-(benzylamino)-2-oxoethyl]-3-(benzylsulfamoyl)-4-chlorobenzamide
CID 38639374
4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-ethoxypropyl)benzamide
CID 24540698
3-(benzylsulfamoyl)-4-chloro-N-(3-phenylprop-2-ynyl)benzamide
CID 24615553
N-(3-ethoxypropyl)-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 45373708
3-(benzylsulfamoyl)-4-chloro-N-[2-(2-nitroanilino)ethyl]benzamide
CID 26420445
3-(benzylsulfamoyl)-4-chloro-N-(4-methoxyphenyl)benzamide
CID 24536240
N-benzyl-5-(2-bromoacetyl)-2-chlorobenzenesulfonamide
CID 21316702
4-chloro-N-pentyl-3-(phenylsulfamoyl)benzamide
CID 126415696
3-(benzylsulfamoyl)-4-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 42279005
N-benzyl-2-chloro-5-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]benzenesulfonamide
CID 24553911

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-4-chloro-N-(3-ethoxypropyl)benzamide?
The IUPAC name of 3-(benzylsulfamoyl)-4-chloro-N-(3-ethoxypropyl)benzamide (CID 24540711) is 3-(benzylsulfamoyl)-4-chloro-N-(3-ethoxypropyl)benzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-4-chloro-N-(3-ethoxypropyl)benzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-4-chloro-N-(3-ethoxypropyl)benzamide is CCOCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of 3-(benzylsulfamoyl)-4-chloro-N-(3-ethoxypropyl)benzamide?
The InChIKey is IXOVIFQWOLJXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4S/c1-2-26-12-6-11-21-19(23)16-9-10-17(20)18(13-16)27(24,25)22-14-15-7-4-3-5-8-15/h3-5,7-10,13,22H,2,6,11-12,14H2,1H3,(H,21,23).
What are the key properties of 3-(benzylsulfamoyl)-4-chloro-N-(3-ethoxypropyl)benzamide?
3-(benzylsulfamoyl)-4-chloro-N-(3-ethoxypropyl)benzamide has a molecular weight of 410.92 g/mol, XLogP of 2.97, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)-4-chloro-N-(3-ethoxypropyl)benzamide is sourced from PubChem (CID 24540711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).