4-chloro-3-(dimethylsulfamoyl)-N-(1-methylcyclopent-3-en-1-yl)benzamide

C15H19ClN2O3S — CID 127266645

IUPAC4-chloro-3-(dimethylsulfamoyl)-N-(1-methylcyclopent-3-en-1-yl)benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)NC2(C)CC=CC2)ccc1Cl
InChIInChI=1S/C15H19ClN2O3S/c1-15(8-4-5-9-15)17-14(19)11-6-7-12(16)13(10-11)22(20,21)18(2)3/h4-7,10H,8-9H2,1-3H3,(H,17,19)
InChIKeyHATOQUAQAJQTLW-UHFFFAOYSA-N
MW342.85 g/mol
LogP2.43
Rot. Bonds4

About 4-chloro-3-(dimethylsulfamoyl)-N-(1-methylcyclopent-3-en-1-yl)benzamide

4-chloro-3-(dimethylsulfamoyl)-N-(1-methylcyclopent-3-en-1-yl)benzamide (PubChem CID 127266645) has the molecular formula C15H19ClN2O3S and a molecular weight of 342.85 g/mol. Its IUPAC name is 4-chloro-3-(dimethylsulfamoyl)-N-(1-methylcyclopent-3-en-1-yl)benzamide.

Molecular Properties

Compound Name4-chloro-3-(dimethylsulfamoyl)-N-(1-methylcyclopent-3-en-1-yl)benzamide
PubChem CID127266645
Molecular FormulaC15H19ClN2O3S
Molecular Weight342.85 g/mol
Exact Mass342.08
IUPAC Name4-chloro-3-(dimethylsulfamoyl)-N-(1-methylcyclopent-3-en-1-yl)benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)NC2(C)CC=CC2)ccc1Cl
InChIInChI=1S/C15H19ClN2O3S/c1-15(8-4-5-9-15)17-14(19)11-6-7-12(16)13(10-11)22(20,21)18(2)3/h4-7,10H,8-9H2,1-3H3,(H,17,19)
InChIKeyHATOQUAQAJQTLW-UHFFFAOYSA-N
XLogP2.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.85
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-(dimethylsulfamoyl)-N-propan-2-ylbenzamide
CID 34234138
N-butyl-4-chloro-3-(dimethylsulfamoyl)benzamide
CID 35709594
4-chloro-3-(dimethylsulfamoyl)-N-(4-methylcyclohexyl)benzamide
CID 43000186
4-chloro-3-(dimethylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 55685378
methyl (2R)-2-[[4-chloro-3-(dimethylsulfamoyl)benzoyl]amino]propanoate
CID 25484227
N-(2-bromo-4-methylphenyl)-4-chloro-3-(dimethylsulfamoyl)benzamide
CID 26775018
4-chloro-3-(dimethylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
CID 46798182
N-[4-(tert-butylcarbamoyl)phenyl]-4-chloro-3-(dimethylsulfamoyl)benzamide
CID 38255180
4-chloro-3-(dimethylsulfamoyl)-N-(3-methylphenyl)benzamide
CID 26537805
4-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 9451752
4-chloro-3-(dimethylsulfamoyl)-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]benzamide
CID 55611853
N-[1-(1-benzofuran-2-yl)ethyl]-4-chloro-3-(dimethylsulfamoyl)benzamide
CID 55389871

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(dimethylsulfamoyl)-N-(1-methylcyclopent-3-en-1-yl)benzamide?
The IUPAC name of 4-chloro-3-(dimethylsulfamoyl)-N-(1-methylcyclopent-3-en-1-yl)benzamide (CID 127266645) is 4-chloro-3-(dimethylsulfamoyl)-N-(1-methylcyclopent-3-en-1-yl)benzamide.
What is the SMILES notation for 4-chloro-3-(dimethylsulfamoyl)-N-(1-methylcyclopent-3-en-1-yl)benzamide?
The canonical SMILES for 4-chloro-3-(dimethylsulfamoyl)-N-(1-methylcyclopent-3-en-1-yl)benzamide is CN(C)S(=O)(=O)c1cc(C(=O)NC2(C)CC=CC2)ccc1Cl.
What is the InChIKey of 4-chloro-3-(dimethylsulfamoyl)-N-(1-methylcyclopent-3-en-1-yl)benzamide?
The InChIKey is HATOQUAQAJQTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3S/c1-15(8-4-5-9-15)17-14(19)11-6-7-12(16)13(10-11)22(20,21)18(2)3/h4-7,10H,8-9H2,1-3H3,(H,17,19).
What are the key properties of 4-chloro-3-(dimethylsulfamoyl)-N-(1-methylcyclopent-3-en-1-yl)benzamide?
4-chloro-3-(dimethylsulfamoyl)-N-(1-methylcyclopent-3-en-1-yl)benzamide has a molecular weight of 342.85 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(dimethylsulfamoyl)-N-(1-methylcyclopent-3-en-1-yl)benzamide is sourced from PubChem (CID 127266645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).