2,5-dichloro-N-(2-methylbutan-2-yl)-3-sulfamoylbenzamide

C12H16Cl2N2O3S — CID 65373801

IUPAC2,5-dichloro-N-(2-methylbutan-2-yl)-3-sulfamoylbenzamide
SMILESCCC(C)(C)NC(=O)c1cc(Cl)cc(S(N)(=O)=O)c1Cl
InChIInChI=1S/C12H16Cl2N2O3S/c1-4-12(2,3)16-11(17)8-5-7(13)6-9(10(8)14)20(15,18)19/h5-6H,4H2,1-3H3,(H,16,17)(H2,15,18,19)
InChIKeyPLGAQNKCJNPDKQ-UHFFFAOYSA-N
MW339.24 g/mol
LogP2.56
Rot. Bonds4

About 2,5-dichloro-N-(2-methylbutan-2-yl)-3-sulfamoylbenzamide

2,5-dichloro-N-(2-methylbutan-2-yl)-3-sulfamoylbenzamide (PubChem CID 65373801) has the molecular formula C12H16Cl2N2O3S and a molecular weight of 339.24 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-methylbutan-2-yl)-3-sulfamoylbenzamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-methylbutan-2-yl)-3-sulfamoylbenzamide
PubChem CID65373801
Molecular FormulaC12H16Cl2N2O3S
Molecular Weight339.24 g/mol
Exact Mass338.03
IUPAC Name2,5-dichloro-N-(2-methylbutan-2-yl)-3-sulfamoylbenzamide
SMILESCCC(C)(C)NC(=O)c1cc(Cl)cc(S(N)(=O)=O)c1Cl
InChIInChI=1S/C12H16Cl2N2O3S/c1-4-12(2,3)16-11(17)8-5-7(13)6-9(10(8)14)20(15,18)19/h5-6H,4H2,1-3H3,(H,16,17)(H2,15,18,19)
InChIKeyPLGAQNKCJNPDKQ-UHFFFAOYSA-N
XLogP2.56
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,5-dichloro-N-(2-methylbutan-2-yl)-3-sulfamoylbenzamide 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

2,4-dimethyl-N-(2-methylbutan-2-yl)-5-sulfamoylbenzamide
CID 62922364
2-methoxyethyl 2,5-dichloro-3-sulfamoylbenzoate
CID 65380265
5-fluoro-2-methyl-N-(2-methylbutan-2-yl)-3-sulfamoylbenzamide
CID 65373796
2,5-dichloro-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide
CID 104766713
2,5-dichloro-N-methyl-N-propyl-3-sulfamoylbenzamide
CID 65388331
4-amino-2-chloro-N-(2-methylbutan-2-yl)benzamide
CID 16771675
5-chloro-2-fluoro-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 65373130
2-bromo-N-(2-methylbutan-2-yl)benzamide
CID 24700588
ethyl 2,5-dichloro-3-chlorosulfonylbenzoate
CID 43436811
2,4-dichloro-5-(diethylsulfamoyl)-N-(2-methylbutan-2-yl)benzamide
CID 4776215
2-amino-5-chloro-N-(2-methylbutan-2-yl)pyridine-4-carboxamide
CID 114921690
4-(5-chloro-2-hydroxyphenyl)-2-fluoro-N-(2-methylbutan-2-yl)benzamide
CID 67277408

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-methylbutan-2-yl)-3-sulfamoylbenzamide?
The IUPAC name of 2,5-dichloro-N-(2-methylbutan-2-yl)-3-sulfamoylbenzamide (CID 65373801) is 2,5-dichloro-N-(2-methylbutan-2-yl)-3-sulfamoylbenzamide.
What is the SMILES notation for 2,5-dichloro-N-(2-methylbutan-2-yl)-3-sulfamoylbenzamide?
The canonical SMILES for 2,5-dichloro-N-(2-methylbutan-2-yl)-3-sulfamoylbenzamide is CCC(C)(C)NC(=O)c1cc(Cl)cc(S(N)(=O)=O)c1Cl.
What is the InChIKey of 2,5-dichloro-N-(2-methylbutan-2-yl)-3-sulfamoylbenzamide?
The InChIKey is PLGAQNKCJNPDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O3S/c1-4-12(2,3)16-11(17)8-5-7(13)6-9(10(8)14)20(15,18)19/h5-6H,4H2,1-3H3,(H,16,17)(H2,15,18,19).
What are the key properties of 2,5-dichloro-N-(2-methylbutan-2-yl)-3-sulfamoylbenzamide?
2,5-dichloro-N-(2-methylbutan-2-yl)-3-sulfamoylbenzamide has a molecular weight of 339.24 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-methylbutan-2-yl)-3-sulfamoylbenzamide is sourced from PubChem (CID 65373801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).