2,5-dichloro-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide

C12H16Cl2N2O4S — CID 104766713

IUPAC2,5-dichloro-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide
SMILESCC(C)OCCNC(=O)c1cc(Cl)cc(S(N)(=O)=O)c1Cl
InChIInChI=1S/C12H16Cl2N2O4S/c1-7(2)20-4-3-16-12(17)9-5-8(13)6-10(11(9)14)21(15,18)19/h5-7H,3-4H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyPQHQXGFTXPSEKI-UHFFFAOYSA-N
MW355.24 g/mol
LogP1.80
Rot. Bonds6

About 2,5-dichloro-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide

2,5-dichloro-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide (PubChem CID 104766713) has the molecular formula C12H16Cl2N2O4S and a molecular weight of 355.24 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide
PubChem CID104766713
Molecular FormulaC12H16Cl2N2O4S
Molecular Weight355.24 g/mol
Exact Mass354.02
IUPAC Name2,5-dichloro-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide
SMILESCC(C)OCCNC(=O)c1cc(Cl)cc(S(N)(=O)=O)c1Cl
InChIInChI=1S/C12H16Cl2N2O4S/c1-7(2)20-4-3-16-12(17)9-5-8(13)6-10(11(9)14)21(15,18)19/h5-7H,3-4H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyPQHQXGFTXPSEKI-UHFFFAOYSA-N
XLogP1.80
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.24
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,5-dichloro-N-(2-propan-2-yloxyethyl)-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

5-bromo-2-chloro-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide
CID 104766693
2-chloro-N-(2-propan-2-yloxyethyl)-5-sulfamoylbenzamide
CID 104600938
2-methoxyethyl 2,5-dichloro-3-sulfamoylbenzoate
CID 65380265
5-chloro-N-(2-propan-2-yloxyethyl)-2-(propylamino)benzamide
CID 104765587
5-chloro-2-methoxy-N-(3-methoxypropyl)-3-sulfamoylbenzamide
CID 65375386
2,5-dichloro-N-(2-methylbutan-2-yl)-3-sulfamoylbenzamide
CID 65373801
4-chloro-3-(2-propan-2-yloxyethylcarbamoyl)benzenesulfonyl chloride
CID 104766605
4-bromo-2-hydroxy-N-(2-propan-2-yloxyethyl)benzamide
CID 113429309
3-chloro-4-methyl-5-(2-propan-2-yloxyethylcarbamoyl)benzenesulfonyl chloride
CID 107100736
5-chloro-N-(2,3-dimethylbutyl)-2-methyl-3-sulfamoylbenzamide
CID 82879168
2-chloro-4-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65375166
5-chloro-N-(3-fluoropropyl)-2-methoxy-3-sulfamoylbenzamide
CID 114267192

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide?
The IUPAC name of 2,5-dichloro-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide (CID 104766713) is 2,5-dichloro-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide.
What is the SMILES notation for 2,5-dichloro-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide?
The canonical SMILES for 2,5-dichloro-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide is CC(C)OCCNC(=O)c1cc(Cl)cc(S(N)(=O)=O)c1Cl.
What is the InChIKey of 2,5-dichloro-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide?
The InChIKey is PQHQXGFTXPSEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O4S/c1-7(2)20-4-3-16-12(17)9-5-8(13)6-10(11(9)14)21(15,18)19/h5-7H,3-4H2,1-2H3,(H,16,17)(H2,15,18,19).
What are the key properties of 2,5-dichloro-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide?
2,5-dichloro-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide has a molecular weight of 355.24 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide is sourced from PubChem (CID 104766713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).