3,4-dichloro-N-propan-2-yl-5-sulfamoylbenzamide

C10H12Cl2N2O3S — CID 65375550

IUPAC3,4-dichloro-N-propan-2-yl-5-sulfamoylbenzamide
SMILESCC(C)NC(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C10H12Cl2N2O3S/c1-5(2)14-10(15)6-3-7(11)9(12)8(4-6)18(13,16)17/h3-5H,1-2H3,(H,14,15)(H2,13,16,17)
InChIKeyXEUKAVZKTVFHDK-UHFFFAOYSA-N
MW311.19 g/mol
LogP1.78
Rot. Bonds3

About 3,4-dichloro-N-propan-2-yl-5-sulfamoylbenzamide

3,4-dichloro-N-propan-2-yl-5-sulfamoylbenzamide (PubChem CID 65375550) has the molecular formula C10H12Cl2N2O3S and a molecular weight of 311.19 g/mol. Its IUPAC name is 3,4-dichloro-N-propan-2-yl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name3,4-dichloro-N-propan-2-yl-5-sulfamoylbenzamide
PubChem CID65375550
Molecular FormulaC10H12Cl2N2O3S
Molecular Weight311.19 g/mol
Exact Mass309.99
IUPAC Name3,4-dichloro-N-propan-2-yl-5-sulfamoylbenzamide
SMILESCC(C)NC(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C10H12Cl2N2O3S/c1-5(2)14-10(15)6-3-7(11)9(12)8(4-6)18(13,16)17/h3-5H,1-2H3,(H,14,15)(H2,13,16,17)
InChIKeyXEUKAVZKTVFHDK-UHFFFAOYSA-N
XLogP1.78
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.19
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-(1-methylcyclopropyl)-5-sulfamoylbenzamide
CID 113486130
3-chloro-4-methyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide
CID 65388795
3,4-dichloro-N-cyclopentyl-5-sulfamoylbenzamide
CID 65375967
4-bromo-3-chloro-N-pentan-3-yl-5-sulfamoylbenzamide
CID 81291212
3,4-dichloro-N-(2,2-dimethylbutyl)-5-sulfamoylbenzamide
CID 103465720
3,4-dichloro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 65374285
2-chloro-5-nitro-N-propan-2-yl-3-sulfamoylbenzamide
CID 65373812
2,3-dichloro-5-(pentan-3-ylcarbamoyl)benzenesulfonyl chloride
CID 65372770
4-chloro-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide
CID 4806697
4-chloro-3-(dimethylsulfamoyl)-N-propan-2-ylbenzamide
CID 34234138
3,3-dimethylbutyl 3,4-dichloro-5-sulfamoylbenzoate
CID 66226465
butyl 3,4-dichloro-5-sulfamoylbenzoate
CID 65382224

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-propan-2-yl-5-sulfamoylbenzamide?
The IUPAC name of 3,4-dichloro-N-propan-2-yl-5-sulfamoylbenzamide (CID 65375550) is 3,4-dichloro-N-propan-2-yl-5-sulfamoylbenzamide.
What is the SMILES notation for 3,4-dichloro-N-propan-2-yl-5-sulfamoylbenzamide?
The canonical SMILES for 3,4-dichloro-N-propan-2-yl-5-sulfamoylbenzamide is CC(C)NC(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1.
What is the InChIKey of 3,4-dichloro-N-propan-2-yl-5-sulfamoylbenzamide?
The InChIKey is XEUKAVZKTVFHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O3S/c1-5(2)14-10(15)6-3-7(11)9(12)8(4-6)18(13,16)17/h3-5H,1-2H3,(H,14,15)(H2,13,16,17).
What are the key properties of 3,4-dichloro-N-propan-2-yl-5-sulfamoylbenzamide?
3,4-dichloro-N-propan-2-yl-5-sulfamoylbenzamide has a molecular weight of 311.19 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-propan-2-yl-5-sulfamoylbenzamide is sourced from PubChem (CID 65375550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).