3-(benzylsulfamoyl)-4-chloro-N-methoxybenzamide

C15H15ClN2O4S — CID 52563097

IUPAC3-(benzylsulfamoyl)-4-chloro-N-methoxybenzamide
SMILESCONC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C15H15ClN2O4S/c1-22-18-15(19)12-7-8-13(16)14(9-12)23(20,21)17-10-11-5-3-2-4-6-11/h2-9,17H,10H2,1H3,(H,18,19)
InChIKeyPXPLLSOUGCKHTR-UHFFFAOYSA-N
MW354.82 g/mol
LogP2.11
Rot. Bonds6

About 3-(benzylsulfamoyl)-4-chloro-N-methoxybenzamide

3-(benzylsulfamoyl)-4-chloro-N-methoxybenzamide (PubChem CID 52563097) has the molecular formula C15H15ClN2O4S and a molecular weight of 354.82 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-4-chloro-N-methoxybenzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-4-chloro-N-methoxybenzamide
PubChem CID52563097
Molecular FormulaC15H15ClN2O4S
Molecular Weight354.82 g/mol
Exact Mass354.04
IUPAC Name3-(benzylsulfamoyl)-4-chloro-N-methoxybenzamide
SMILESCONC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C15H15ClN2O4S/c1-22-18-15(19)12-7-8-13(16)14(9-12)23(20,21)17-10-11-5-3-2-4-6-11/h2-9,17H,10H2,1H3,(H,18,19)
InChIKeyPXPLLSOUGCKHTR-UHFFFAOYSA-N
XLogP2.11
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(benzylsulfamoyl)-4-chloro-N-(4-methoxyphenyl)benzamide
CID 24536240
N-[2-(benzylamino)-2-oxoethyl]-3-(benzylsulfamoyl)-4-chlorobenzamide
CID 38639374
N-benzyl-2-chloro-5-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]benzenesulfonamide
CID 24553911
2-methylprop-2-enyl 3-(benzylsulfamoyl)-4-chlorobenzoate
CID 18098555
(3,3-dimethyl-2-oxobutyl) 3-(benzylsulfamoyl)-4-chlorobenzoate
CID 2599563
N-benzyl-5-(2-bromoacetyl)-2-chlorobenzenesulfonamide
CID 21316702
3-(benzylsulfamoyl)-4-chloro-N-(3-phenylprop-2-ynyl)benzamide
CID 24615553
3-(benzylsulfamoyl)-4-chloro-N-(3-ethoxypropyl)benzamide
CID 24540711
[2-(2-chlorophenyl)-2-oxoethyl] 3-(benzylsulfamoyl)-4-chlorobenzoate
CID 2383122
3-(benzylsulfamoyl)-4-chloro-N-pyridin-2-ylbenzamide
CID 60589876
3-(benzylsulfamoyl)-4-chloro-N-(5-methyl-2-pyridinyl)benzamide
CID 55370754
4-chloro-3-(methylsulfamoyl)-N-phenylmethoxybenzamide
CID 9227450

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-4-chloro-N-methoxybenzamide?
The IUPAC name of 3-(benzylsulfamoyl)-4-chloro-N-methoxybenzamide (CID 52563097) is 3-(benzylsulfamoyl)-4-chloro-N-methoxybenzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-4-chloro-N-methoxybenzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-4-chloro-N-methoxybenzamide is CONC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of 3-(benzylsulfamoyl)-4-chloro-N-methoxybenzamide?
The InChIKey is PXPLLSOUGCKHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O4S/c1-22-18-15(19)12-7-8-13(16)14(9-12)23(20,21)17-10-11-5-3-2-4-6-11/h2-9,17H,10H2,1H3,(H,18,19).
What are the key properties of 3-(benzylsulfamoyl)-4-chloro-N-methoxybenzamide?
3-(benzylsulfamoyl)-4-chloro-N-methoxybenzamide has a molecular weight of 354.82 g/mol, XLogP of 2.11, 6 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-methoxybenzamide is sourced from PubChem (CID 52563097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).