4-chloro-N-[2-(dimethylsulfamoyl)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide

C17H20ClN3O6S2 — CID 55983949

IUPAC4-chloro-N-[2-(dimethylsulfamoyl)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide
SMILESCON(C)S(=O)(=O)c1cc(C(=O)Nc2ccccc2S(=O)(=O)N(C)C)ccc1Cl
InChIInChI=1S/C17H20ClN3O6S2/c1-20(2)28(23,24)15-8-6-5-7-14(15)19-17(22)12-9-10-13(18)16(11-12)29(25,26)21(3)27-4/h5-11H,1-4H3,(H,19,22)
InChIKeyAVRGAHJBGQSAKQ-UHFFFAOYSA-N
MW461.95 g/mol
LogP2.02
Rot. Bonds7

About 4-chloro-N-[2-(dimethylsulfamoyl)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide

4-chloro-N-[2-(dimethylsulfamoyl)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide (PubChem CID 55983949) has the molecular formula C17H20ClN3O6S2 and a molecular weight of 461.95 g/mol. Its IUPAC name is 4-chloro-N-[2-(dimethylsulfamoyl)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(dimethylsulfamoyl)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide
PubChem CID55983949
Molecular FormulaC17H20ClN3O6S2
Molecular Weight461.95 g/mol
Exact Mass461.05
IUPAC Name4-chloro-N-[2-(dimethylsulfamoyl)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide
SMILESCON(C)S(=O)(=O)c1cc(C(=O)Nc2ccccc2S(=O)(=O)N(C)C)ccc1Cl
InChIInChI=1S/C17H20ClN3O6S2/c1-20(2)28(23,24)15-8-6-5-7-14(15)19-17(22)12-9-10-13(18)16(11-12)29(25,26)21(3)27-4/h5-11H,1-4H3,(H,19,22)
InChIKeyAVRGAHJBGQSAKQ-UHFFFAOYSA-N
XLogP2.02
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.95
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(2-iodophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 27666744
4-chloro-N-[2-(2-chlorophenoxy)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 37348272
4-chloro-N-(4-chlorophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 27666735
4-chloro-N-(3,5-dimethylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 27667360
4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 9158529
4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 55981489
4-chloro-3-[methoxy(methyl)sulfamoyl]-N-(4-methylsulfanylphenyl)benzamide
CID 27365356
4-chloro-N-[4-chloro-3-(methylcarbamoyl)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 55835625
4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 55609831
2,5-dichloro-N-[2-(dimethylsulfamoyl)phenyl]benzamide
CID 55984214
N-(4-bromo-3-methylphenyl)-4-chloro-3-[methoxy(methyl)sulfamoyl]benzamide
CID 27667536
N-(4-carbamoyl-3-methylphenyl)-4-chloro-3-[methoxy(methyl)sulfamoyl]benzamide
CID 56518228

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(dimethylsulfamoyl)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide?
The IUPAC name of 4-chloro-N-[2-(dimethylsulfamoyl)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide (CID 55983949) is 4-chloro-N-[2-(dimethylsulfamoyl)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(dimethylsulfamoyl)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(dimethylsulfamoyl)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide is CON(C)S(=O)(=O)c1cc(C(=O)Nc2ccccc2S(=O)(=O)N(C)C)ccc1Cl.
What is the InChIKey of 4-chloro-N-[2-(dimethylsulfamoyl)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide?
The InChIKey is AVRGAHJBGQSAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O6S2/c1-20(2)28(23,24)15-8-6-5-7-14(15)19-17(22)12-9-10-13(18)16(11-12)29(25,26)21(3)27-4/h5-11H,1-4H3,(H,19,22).
What are the key properties of 4-chloro-N-[2-(dimethylsulfamoyl)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide?
4-chloro-N-[2-(dimethylsulfamoyl)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide has a molecular weight of 461.95 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(dimethylsulfamoyl)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide is sourced from PubChem (CID 55983949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).