3,4-dichloro-N-(1-methylcyclopropyl)-5-sulfamoylbenzamide

C11H12Cl2N2O3S — CID 113486130

IUPAC3,4-dichloro-N-(1-methylcyclopropyl)-5-sulfamoylbenzamide
SMILESCC1(NC(=O)c2cc(Cl)c(Cl)c(S(N)(=O)=O)c2)CC1
InChIInChI=1S/C11H12Cl2N2O3S/c1-11(2-3-11)15-10(16)6-4-7(12)9(13)8(5-6)19(14,17)18/h4-5H,2-3H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyBVBXFKLWUYFUTN-UHFFFAOYSA-N
MW323.20 g/mol
LogP1.92
Rot. Bonds3

About 3,4-dichloro-N-(1-methylcyclopropyl)-5-sulfamoylbenzamide

3,4-dichloro-N-(1-methylcyclopropyl)-5-sulfamoylbenzamide (PubChem CID 113486130) has the molecular formula C11H12Cl2N2O3S and a molecular weight of 323.20 g/mol. Its IUPAC name is 3,4-dichloro-N-(1-methylcyclopropyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(1-methylcyclopropyl)-5-sulfamoylbenzamide
PubChem CID113486130
Molecular FormulaC11H12Cl2N2O3S
Molecular Weight323.20 g/mol
Exact Mass321.99
IUPAC Name3,4-dichloro-N-(1-methylcyclopropyl)-5-sulfamoylbenzamide
SMILESCC1(NC(=O)c2cc(Cl)c(Cl)c(S(N)(=O)=O)c2)CC1
InChIInChI=1S/C11H12Cl2N2O3S/c1-11(2-3-11)15-10(16)6-4-7(12)9(13)8(5-6)19(14,17)18/h4-5H,2-3H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyBVBXFKLWUYFUTN-UHFFFAOYSA-N
XLogP1.92
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.20
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-propan-2-yl-5-sulfamoylbenzamide
CID 65375550
3,4-dichloro-N-(2,2-dimethylbutyl)-5-sulfamoylbenzamide
CID 103465720
3,4-dichloro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 65374285
3,4-dichloro-N-cyclopentyl-5-sulfamoylbenzamide
CID 65375967
3-chloro-N-(1-methylcyclopentyl)-5-sulfamoylbenzamide
CID 65379790
3-chloro-4-methyl-N-propyl-5-sulfamoylbenzamide
CID 65375338
2-bromo-4-chloro-5-[(1-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride
CID 113486107
5-chloro-2-fluoro-N-(1-methylcyclopentyl)-3-sulfamoylbenzamide
CID 65380196
2,6-dichloro-N-(1-methylcyclobutyl)pyridine-4-carboxamide
CID 115766201
4-chloro-2-fluoro-5-[(1-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride
CID 113486103
3-chloro-N-(1-methylcyclopropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 176731238
4-chloro-N-(2-methoxy-2-methylpropyl)-3-methyl-5-sulfamoylbenzamide
CID 104766737

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(1-methylcyclopropyl)-5-sulfamoylbenzamide?
The IUPAC name of 3,4-dichloro-N-(1-methylcyclopropyl)-5-sulfamoylbenzamide (CID 113486130) is 3,4-dichloro-N-(1-methylcyclopropyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 3,4-dichloro-N-(1-methylcyclopropyl)-5-sulfamoylbenzamide?
The canonical SMILES for 3,4-dichloro-N-(1-methylcyclopropyl)-5-sulfamoylbenzamide is CC1(NC(=O)c2cc(Cl)c(Cl)c(S(N)(=O)=O)c2)CC1.
What is the InChIKey of 3,4-dichloro-N-(1-methylcyclopropyl)-5-sulfamoylbenzamide?
The InChIKey is BVBXFKLWUYFUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O3S/c1-11(2-3-11)15-10(16)6-4-7(12)9(13)8(5-6)19(14,17)18/h4-5H,2-3H2,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of 3,4-dichloro-N-(1-methylcyclopropyl)-5-sulfamoylbenzamide?
3,4-dichloro-N-(1-methylcyclopropyl)-5-sulfamoylbenzamide has a molecular weight of 323.20 g/mol, XLogP of 1.92, 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-(1-methylcyclopropyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 113486130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).