4-chloro-3-(methylsulfamoyl)-N-phenylmethoxybenzamide

C15H15ClN2O4S — CID 9227450

IUPAC4-chloro-3-(methylsulfamoyl)-N-phenylmethoxybenzamide
SMILESCNS(=O)(=O)c1cc(C(=O)NOCc2ccccc2)ccc1Cl
InChIInChI=1S/C15H15ClN2O4S/c1-17-23(20,21)14-9-12(7-8-13(14)16)15(19)18-22-10-11-5-3-2-4-6-11/h2-9,17H,10H2,1H3,(H,18,19)
InChIKeyYRHFWGMELMLMEY-UHFFFAOYSA-N
MW354.82 g/mol
LogP2.11
Rot. Bonds6

About 4-chloro-3-(methylsulfamoyl)-N-phenylmethoxybenzamide

4-chloro-3-(methylsulfamoyl)-N-phenylmethoxybenzamide (PubChem CID 9227450) has the molecular formula C15H15ClN2O4S and a molecular weight of 354.82 g/mol. Its IUPAC name is 4-chloro-3-(methylsulfamoyl)-N-phenylmethoxybenzamide.

Molecular Properties

Compound Name4-chloro-3-(methylsulfamoyl)-N-phenylmethoxybenzamide
PubChem CID9227450
Molecular FormulaC15H15ClN2O4S
Molecular Weight354.82 g/mol
Exact Mass354.04
IUPAC Name4-chloro-3-(methylsulfamoyl)-N-phenylmethoxybenzamide
SMILESCNS(=O)(=O)c1cc(C(=O)NOCc2ccccc2)ccc1Cl
InChIInChI=1S/C15H15ClN2O4S/c1-17-23(20,21)14-9-12(7-8-13(14)16)15(19)18-22-10-11-5-3-2-4-6-11/h2-9,17H,10H2,1H3,(H,18,19)
InChIKeyYRHFWGMELMLMEY-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-methoxybenzamide
CID 52563097
4-chloro-N-methyl-3-(methylsulfamoyl)benzamide
CID 19394
phenacyl 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823753
4-bromo-3-(dimethylsulfamoyl)-N-phenylmethoxybenzamide
CID 9227498
4-chloro-3-(methylsulfamoyl)-N-(4-phenoxyphenyl)benzamide
CID 9413651
(3-methoxyphenyl)methyl 4-chloro-3-(methylsulfamoyl)benzoate
CID 16569929
2-chloro-5-[[(4-ethoxybenzoyl)amino]carbamoyl]-N-methylbenzenesulfonamide
CID 9480366
(2-anilino-2-oxoethyl) 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823722
4-methyl-N-phenylmethoxy-3-piperidin-1-ylsulfonylbenzamide
CID 9227291
2-chloroprop-2-enyl 4-chloro-3-(methylsulfamoyl)benzoate
CID 27027293
3,4-dihydroxy-N-phenylmethoxybenzamide
CID 91664812
[2-(methylamino)-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823641

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(methylsulfamoyl)-N-phenylmethoxybenzamide?
The IUPAC name of 4-chloro-3-(methylsulfamoyl)-N-phenylmethoxybenzamide (CID 9227450) is 4-chloro-3-(methylsulfamoyl)-N-phenylmethoxybenzamide.
What is the SMILES notation for 4-chloro-3-(methylsulfamoyl)-N-phenylmethoxybenzamide?
The canonical SMILES for 4-chloro-3-(methylsulfamoyl)-N-phenylmethoxybenzamide is CNS(=O)(=O)c1cc(C(=O)NOCc2ccccc2)ccc1Cl.
What is the InChIKey of 4-chloro-3-(methylsulfamoyl)-N-phenylmethoxybenzamide?
The InChIKey is YRHFWGMELMLMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O4S/c1-17-23(20,21)14-9-12(7-8-13(14)16)15(19)18-22-10-11-5-3-2-4-6-11/h2-9,17H,10H2,1H3,(H,18,19).
What are the key properties of 4-chloro-3-(methylsulfamoyl)-N-phenylmethoxybenzamide?
4-chloro-3-(methylsulfamoyl)-N-phenylmethoxybenzamide 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 4-chloro-3-(methylsulfamoyl)-N-phenylmethoxybenzamide is sourced from PubChem (CID 9227450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).