2-chloro-N-methoxy-5-(propan-2-ylsulfamoyl)benzamide

C11H15ClN2O4S — CID 51316610

IUPAC2-chloro-N-methoxy-5-(propan-2-ylsulfamoyl)benzamide
SMILESCONC(=O)c1cc(S(=O)(=O)NC(C)C)ccc1Cl
InChIInChI=1S/C11H15ClN2O4S/c1-7(2)14-19(16,17)8-4-5-10(12)9(6-8)11(15)13-18-3/h4-7,14H,1-3H3,(H,13,15)
InChIKeyLAPAUXXJVGOFSA-UHFFFAOYSA-N
MW306.77 g/mol
LogP1.32
Rot. Bonds5

About 2-chloro-N-methoxy-5-(propan-2-ylsulfamoyl)benzamide

2-chloro-N-methoxy-5-(propan-2-ylsulfamoyl)benzamide (PubChem CID 51316610) has the molecular formula C11H15ClN2O4S and a molecular weight of 306.77 g/mol. Its IUPAC name is 2-chloro-N-methoxy-5-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-methoxy-5-(propan-2-ylsulfamoyl)benzamide
PubChem CID51316610
Molecular FormulaC11H15ClN2O4S
Molecular Weight306.77 g/mol
Exact Mass306.04
IUPAC Name2-chloro-N-methoxy-5-(propan-2-ylsulfamoyl)benzamide
SMILESCONC(=O)c1cc(S(=O)(=O)NC(C)C)ccc1Cl
InChIInChI=1S/C11H15ClN2O4S/c1-7(2)14-19(16,17)8-4-5-10(12)9(6-8)11(15)13-18-3/h4-7,14H,1-3H3,(H,13,15)
InChIKeyLAPAUXXJVGOFSA-UHFFFAOYSA-N
XLogP1.32
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 51.32
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

N-tert-butyl-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
CID 51285596
2-chloro-N-[2-(ethylamino)-2-oxoethyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 55406988
2-chloro-N-cyclohexyl-5-(propan-2-ylsulfamoyl)benzamide
CID 51160947
N-(4-tert-butylphenyl)-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
CID 34756542
methyl 3-(4-chlorophenyl)-3-[[2-chloro-5-(propan-2-ylsulfamoyl)benzoyl]amino]propanoate
CID 55439490
N-(3-acetamido-4-methoxyphenyl)-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
CID 24666791
4-chloro-3-methyl-N-propan-2-ylbenzenesulfonamide
CID 39845241
3-bromo-4-chloro-N-propan-2-ylbenzenesulfonamide
CID 106545028
4-[[(2,5-dichlorobenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide
CID 24634435
methyl 2-bromo-5-(propan-2-ylsulfamoyl)benzoate
CID 7803480
3-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]-4-chloro-N-propan-2-ylbenzenesulfonamide
CID 34056891
2-chloro-5-(propan-2-ylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 27052685

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methoxy-5-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of 2-chloro-N-methoxy-5-(propan-2-ylsulfamoyl)benzamide (CID 51316610) is 2-chloro-N-methoxy-5-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for 2-chloro-N-methoxy-5-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for 2-chloro-N-methoxy-5-(propan-2-ylsulfamoyl)benzamide is CONC(=O)c1cc(S(=O)(=O)NC(C)C)ccc1Cl.
What is the InChIKey of 2-chloro-N-methoxy-5-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is LAPAUXXJVGOFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O4S/c1-7(2)14-19(16,17)8-4-5-10(12)9(6-8)11(15)13-18-3/h4-7,14H,1-3H3,(H,13,15).
What are the key properties of 2-chloro-N-methoxy-5-(propan-2-ylsulfamoyl)benzamide?
2-chloro-N-methoxy-5-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 306.77 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methoxy-5-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 51316610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).