3-[(2-chlorophenyl)sulfamoyl]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide

C21H21ClN2O3S2 — CID 46691959

IUPAC3-[(2-chlorophenyl)sulfamoyl]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
SMILESCC(C)C(NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1cccs1
InChIInChI=1S/C21H21ClN2O3S2/c1-14(2)20(19-11-6-12-28-19)23-21(25)15-7-5-8-16(13-15)29(26,27)24-18-10-4-3-9-17(18)22/h3-14,20,24H,1-2H3,(H,23,25)
InChIKeyRPNZWACRNDCUOA-UHFFFAOYSA-N
MW449.00 g/mol
LogP5.33
Rot. Bonds7

About 3-[(2-chlorophenyl)sulfamoyl]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide

3-[(2-chlorophenyl)sulfamoyl]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide (PubChem CID 46691959) has the molecular formula C21H21ClN2O3S2 and a molecular weight of 449.00 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)sulfamoyl]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)sulfamoyl]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
PubChem CID46691959
Molecular FormulaC21H21ClN2O3S2
Molecular Weight449.00 g/mol
Exact Mass448.07
IUPAC Name3-[(2-chlorophenyl)sulfamoyl]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
SMILESCC(C)C(NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1cccs1
InChIInChI=1S/C21H21ClN2O3S2/c1-14(2)20(19-11-6-12-28-19)23-21(25)15-7-5-8-16(13-15)29(26,27)24-18-10-4-3-9-17(18)22/h3-14,20,24H,1-2H3,(H,23,25)
InChIKeyRPNZWACRNDCUOA-UHFFFAOYSA-N
XLogP5.33
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.00
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-chlorophenyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide
CID 43016560
3-(cyclopropylsulfamoyl)-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
CID 46691945
3-[(2-chlorophenyl)sulfamoyl]-N-[(2S)-2-hydroxy-3-methylbutyl]benzamide
CID 97012345
3-methyl-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide
CID 9051719
N-[1-[2-[3-[(2-chlorophenyl)sulfamoyl]benzoyl]hydrazinyl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 24654446
3-[(2-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2687813
4-chloro-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-3-piperidin-1-ylsulfonylbenzamide
CID 25372449
N-butyl-3-[(2-chlorophenyl)sulfamoyl]benzamide
CID 18106251
N-(2-chlorophenyl)-3-[(N-methylanilino)carbamoyl]benzenesulfonamide
CID 9479518
N-(2-methyl-1-thiophen-2-ylpropyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 46613254
3-[(2-chlorophenyl)sulfamoyl]-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]benzamide
CID 9060965
4-[(2-fluorophenyl)sulfamoyl]-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-1H-pyrrole-2-carboxamide
CID 51950892

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)sulfamoyl]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide?
The IUPAC name of 3-[(2-chlorophenyl)sulfamoyl]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide (CID 46691959) is 3-[(2-chlorophenyl)sulfamoyl]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide.
What is the SMILES notation for 3-[(2-chlorophenyl)sulfamoyl]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide?
The canonical SMILES for 3-[(2-chlorophenyl)sulfamoyl]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide is CC(C)C(NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1cccs1.
What is the InChIKey of 3-[(2-chlorophenyl)sulfamoyl]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide?
The InChIKey is RPNZWACRNDCUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O3S2/c1-14(2)20(19-11-6-12-28-19)23-21(25)15-7-5-8-16(13-15)29(26,27)24-18-10-4-3-9-17(18)22/h3-14,20,24H,1-2H3,(H,23,25).
What are the key properties of 3-[(2-chlorophenyl)sulfamoyl]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide?
3-[(2-chlorophenyl)sulfamoyl]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide has a molecular weight of 449.00 g/mol, XLogP of 5.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)sulfamoyl]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide is sourced from PubChem (CID 46691959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).