N-(4-tert-butylphenyl)sulfonyl-2,4-dichlorobenzamide

C17H17Cl2NO3S — CID 11451977

IUPACN-(4-tert-butylphenyl)sulfonyl-2,4-dichlorobenzamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H17Cl2NO3S/c1-17(2,3)11-4-7-13(8-5-11)24(22,23)20-16(21)14-9-6-12(18)10-15(14)19/h4-10H,1-3H3,(H,20,21)
InChIKeyWWGQYMKITSMXKY-UHFFFAOYSA-N
MW386.30 g/mol
LogP4.41
Rot. Bonds3

About N-(4-tert-butylphenyl)sulfonyl-2,4-dichlorobenzamide

N-(4-tert-butylphenyl)sulfonyl-2,4-dichlorobenzamide (PubChem CID 11451977) has the molecular formula C17H17Cl2NO3S and a molecular weight of 386.30 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)sulfonyl-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)sulfonyl-2,4-dichlorobenzamide
PubChem CID11451977
Molecular FormulaC17H17Cl2NO3S
Molecular Weight386.30 g/mol
Exact Mass385.03
IUPAC NameN-(4-tert-butylphenyl)sulfonyl-2,4-dichlorobenzamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H17Cl2NO3S/c1-17(2,3)11-4-7-13(8-5-11)24(22,23)20-16(21)14-9-6-12(18)10-15(14)19/h4-10H,1-3H3,(H,20,21)
InChIKeyWWGQYMKITSMXKY-UHFFFAOYSA-N
XLogP4.41
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.30
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-tert-butylphenyl)sulfonyl-2,4-dichlorobenzamide 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

N-[2,4-dichlorobenzoyl]phenylsulfonamide
CID 9968373
4-Chloro-N-(4-chlorobenzenesulfonyl)benzamide
CID 837182
LY-33169
CID 10021712
2,4-dichloro-N-(3-chloro-4-fluorophenyl)sulfonylbenzamide
CID 11176518
2,4-dichloro-N-(3,4-dichlorophenyl)sulfonylbenzamide
CID 11188738
2,4-dichloro-N-(4-methylphenyl)sulfonylbenzamide
CID 11244838
2,4-dichloro-N-(3-chlorophenyl)sulfonylbenzamide
CID 11245472
2,4-dichloro-N-(3-chloro-4-methylphenyl)sulfonylbenzamide
CID 11245920
2,4-dichloro-N-(3-methylphenyl)sulfonylbenzamide
CID 11393780
4-chloro-N-(4-chlorophenyl)sulfonyl-2-methylbenzamide
CID 11445097
2,4-dichloro-N-(4-fluorophenyl)sulfonylbenzamide
CID 11473497
2,4-dichloro-N-(4-methylsulfanylphenyl)sulfonylbenzamide
CID 11474329

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)sulfonyl-2,4-dichlorobenzamide?
The IUPAC name of N-(4-tert-butylphenyl)sulfonyl-2,4-dichlorobenzamide (CID 11451977) is N-(4-tert-butylphenyl)sulfonyl-2,4-dichlorobenzamide.
What is the SMILES notation for N-(4-tert-butylphenyl)sulfonyl-2,4-dichlorobenzamide?
The canonical SMILES for N-(4-tert-butylphenyl)sulfonyl-2,4-dichlorobenzamide is CC(C)(C)c1ccc(S(=O)(=O)NC(=O)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)sulfonyl-2,4-dichlorobenzamide?
The InChIKey is WWGQYMKITSMXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO3S/c1-17(2,3)11-4-7-13(8-5-11)24(22,23)20-16(21)14-9-6-12(18)10-15(14)19/h4-10H,1-3H3,(H,20,21).
What are the key properties of N-(4-tert-butylphenyl)sulfonyl-2,4-dichlorobenzamide?
N-(4-tert-butylphenyl)sulfonyl-2,4-dichlorobenzamide has a molecular weight of 386.30 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)sulfonyl-2,4-dichlorobenzamide is sourced from PubChem (CID 11451977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).