N-[2-(3,4-dichlorophenyl)propan-2-yl]-3-methylsulfonylbenzamide

C17H17Cl2NO3S — CID 49334241

IUPACN-[2-(3,4-dichlorophenyl)propan-2-yl]-3-methylsulfonylbenzamide
SMILESCC(C)(NC(=O)c1cccc(S(C)(=O)=O)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H17Cl2NO3S/c1-17(2,12-7-8-14(18)15(19)10-12)20-16(21)11-5-4-6-13(9-11)24(3,22)23/h4-10H,1-3H3,(H,20,21)
InChIKeySSAKGIFLJGEXQL-UHFFFAOYSA-N
MW386.30 g/mol
LogP4.06
Rot. Bonds4

About N-[2-(3,4-dichlorophenyl)propan-2-yl]-3-methylsulfonylbenzamide

N-[2-(3,4-dichlorophenyl)propan-2-yl]-3-methylsulfonylbenzamide (PubChem CID 49334241) has the molecular formula C17H17Cl2NO3S and a molecular weight of 386.30 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)propan-2-yl]-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)propan-2-yl]-3-methylsulfonylbenzamide
PubChem CID49334241
Molecular FormulaC17H17Cl2NO3S
Molecular Weight386.30 g/mol
Exact Mass385.03
IUPAC NameN-[2-(3,4-dichlorophenyl)propan-2-yl]-3-methylsulfonylbenzamide
SMILESCC(C)(NC(=O)c1cccc(S(C)(=O)=O)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H17Cl2NO3S/c1-17(2,12-7-8-14(18)15(19)10-12)20-16(21)11-5-4-6-13(9-11)24(3,22)23/h4-10H,1-3H3,(H,20,21)
InChIKeySSAKGIFLJGEXQL-UHFFFAOYSA-N
XLogP4.06
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.30
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-[(3-methylsulfonylbenzoyl)amino]propanoic acid
CID 43341336
N-hydroxy-3-methylsulfonylbenzamide
CID 24692724
N-bromo-3-methylsulfonylbenzamide
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N-(1-hydroxy-3-methylpentan-3-yl)-3-methylsulfonylbenzamide
CID 103945844
2-methyl-2-[(3-methylsulfonylbenzoyl)amino]pentanoic acid
CID 43618545
N-[2-(4-chlorophenyl)-2-ethylbutyl]-3-methylsulfonylbenzamide
CID 60621661
N-(4-amino-2-chlorophenyl)-3-methylsulfonylbenzamide
CID 16773286
N-(2-bromo-3-chlorophenyl)-3-methylsulfonylbenzamide
CID 103480003
(2,5-dichlorophenyl)-(3-methylsulfonylphenyl)methanone
CID 43344607
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylsulfonylbenzamide;hydrochloride
CID 119599708
N-[2-(3,4-dichlorophenyl)propan-2-yl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 49149193
N-tert-butyl-3-(tribromomethylsulfonyl)benzamide
CID 164778887

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)propan-2-yl]-3-methylsulfonylbenzamide?
The IUPAC name of N-[2-(3,4-dichlorophenyl)propan-2-yl]-3-methylsulfonylbenzamide (CID 49334241) is N-[2-(3,4-dichlorophenyl)propan-2-yl]-3-methylsulfonylbenzamide.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)propan-2-yl]-3-methylsulfonylbenzamide?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)propan-2-yl]-3-methylsulfonylbenzamide is CC(C)(NC(=O)c1cccc(S(C)(=O)=O)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)propan-2-yl]-3-methylsulfonylbenzamide?
The InChIKey is SSAKGIFLJGEXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO3S/c1-17(2,12-7-8-14(18)15(19)10-12)20-16(21)11-5-4-6-13(9-11)24(3,22)23/h4-10H,1-3H3,(H,20,21).
What are the key properties of N-[2-(3,4-dichlorophenyl)propan-2-yl]-3-methylsulfonylbenzamide?
N-[2-(3,4-dichlorophenyl)propan-2-yl]-3-methylsulfonylbenzamide has a molecular weight of 386.30 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)propan-2-yl]-3-methylsulfonylbenzamide is sourced from PubChem (CID 49334241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).