3-[(3,4-dichlorophenyl)sulfonylamino]-N-propan-2-ylbenzamide

C16H16Cl2N2O3S — CID 27648381

IUPAC3-[(3,4-dichlorophenyl)sulfonylamino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)Cl
InChIInChI=1S/C16H16Cl2N2O3S/c1-10(2)19-16(21)11-4-3-5-12(8-11)20-24(22,23)13-6-7-14(17)15(18)9-13/h3-10,20H,1-2H3,(H,19,21)
InChIKeyUAJBDPBXAJRDDQ-UHFFFAOYSA-N
MW387.30 g/mol
LogP3.80
Rot. Bonds5

About 3-[(3,4-dichlorophenyl)sulfonylamino]-N-propan-2-ylbenzamide

3-[(3,4-dichlorophenyl)sulfonylamino]-N-propan-2-ylbenzamide (PubChem CID 27648381) has the molecular formula C16H16Cl2N2O3S and a molecular weight of 387.30 g/mol. Its IUPAC name is 3-[(3,4-dichlorophenyl)sulfonylamino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[(3,4-dichlorophenyl)sulfonylamino]-N-propan-2-ylbenzamide
PubChem CID27648381
Molecular FormulaC16H16Cl2N2O3S
Molecular Weight387.30 g/mol
Exact Mass386.03
IUPAC Name3-[(3,4-dichlorophenyl)sulfonylamino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)Cl
InChIInChI=1S/C16H16Cl2N2O3S/c1-10(2)19-16(21)11-4-3-5-12(8-11)20-24(22,23)13-6-7-14(17)15(18)9-13/h3-10,20H,1-2H3,(H,19,21)
InChIKeyUAJBDPBXAJRDDQ-UHFFFAOYSA-N
XLogP3.80
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity536

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.30
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(3,4-dichlorophenyl)sulfonylamino]-N-propan-2-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3-Chlorophenyl)sulfamoyl]-~{n}-(Phenylmethyl)-~{n}-Propyl-Benzamide
CID 126970809
4-chloro-N-[2-(1-cyclohexen-1-yl)ethyl]-3-{[(3-methylphenyl)amino]sulfonyl}benzamide
CID 1249608
4-chloro-N-[2-(1-cyclohexen-1-yl)ethyl]-3-{[(2-methylphenyl)amino]sulfonyl}benzamide
CID 1263381
2-chloro-N-(3-methylphenyl)-5-(1-pyrrolidinylcarbonyl)benzenesulfonamide
CID 1265015
N-[(3-chlorophenyl)methyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 2110703
4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-[2-(diethylamino)ethyl]benzamide
CID 2369008
N-[(2-chlorophenyl)methyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 4428441
N-(4-chlorophenyl)-4-(dipropylsulfamoyl)benzamide
CID 4650747
N-(3-chlorophenyl)-4-(dipropylsulfamoyl)benzamide
CID 4654716
4-chloro-N-[3-(dimethylamino)propyl]-3-[methyl(phenyl)sulfamoyl]benzamide;hydrochloride
CID 11834467
N-(2-chlorophenyl)-4-(dipropylsulfamoyl)benzamide
CID 109061586
N-benzyl-4-[(3-chlorophenyl)sulfamoyl]-N-methylbenzamide
CID 118720892

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dichlorophenyl)sulfonylamino]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[(3,4-dichlorophenyl)sulfonylamino]-N-propan-2-ylbenzamide (CID 27648381) is 3-[(3,4-dichlorophenyl)sulfonylamino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[(3,4-dichlorophenyl)sulfonylamino]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[(3,4-dichlorophenyl)sulfonylamino]-N-propan-2-ylbenzamide is CC(C)NC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)Cl.
What is the InChIKey of 3-[(3,4-dichlorophenyl)sulfonylamino]-N-propan-2-ylbenzamide?
The InChIKey is UAJBDPBXAJRDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3S/c1-10(2)19-16(21)11-4-3-5-12(8-11)20-24(22,23)13-6-7-14(17)15(18)9-13/h3-10,20H,1-2H3,(H,19,21).
What are the key properties of 3-[(3,4-dichlorophenyl)sulfonylamino]-N-propan-2-ylbenzamide?
3-[(3,4-dichlorophenyl)sulfonylamino]-N-propan-2-ylbenzamide has a molecular weight of 387.30 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dichlorophenyl)sulfonylamino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 27648381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).