3-chloro-N-(1-ethylcyclobutyl)-2-methyl-5-sulfamoylbenzamide

C14H19ClN2O3S — CID 107101056

IUPAC3-chloro-N-(1-ethylcyclobutyl)-2-methyl-5-sulfamoylbenzamide
SMILESCCC1(NC(=O)c2cc(S(N)(=O)=O)cc(Cl)c2C)CCC1
InChIInChI=1S/C14H19ClN2O3S/c1-3-14(5-4-6-14)17-13(18)11-7-10(21(16,19)20)8-12(15)9(11)2/h7-8H,3-6H2,1-2H3,(H,17,18)(H2,16,19,20)
InChIKeyTXHYDQXHUVFCQW-UHFFFAOYSA-N
MW330.84 g/mol
LogP2.36
Rot. Bonds4

About 3-chloro-N-(1-ethylcyclobutyl)-2-methyl-5-sulfamoylbenzamide

3-chloro-N-(1-ethylcyclobutyl)-2-methyl-5-sulfamoylbenzamide (PubChem CID 107101056) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is 3-chloro-N-(1-ethylcyclobutyl)-2-methyl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(1-ethylcyclobutyl)-2-methyl-5-sulfamoylbenzamide
PubChem CID107101056
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC Name3-chloro-N-(1-ethylcyclobutyl)-2-methyl-5-sulfamoylbenzamide
SMILESCCC1(NC(=O)c2cc(S(N)(=O)=O)cc(Cl)c2C)CCC1
InChIInChI=1S/C14H19ClN2O3S/c1-3-14(5-4-6-14)17-13(18)11-7-10(21(16,19)20)8-12(15)9(11)2/h7-8H,3-6H2,1-2H3,(H,17,18)(H2,16,19,20)
InChIKeyTXHYDQXHUVFCQW-UHFFFAOYSA-N
XLogP2.36
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-ethylcyclobutyl)-2-methyl-5-sulfamoylbenzamide?
The IUPAC name of 3-chloro-N-(1-ethylcyclobutyl)-2-methyl-5-sulfamoylbenzamide (CID 107101056) is 3-chloro-N-(1-ethylcyclobutyl)-2-methyl-5-sulfamoylbenzamide.
What is the SMILES notation for 3-chloro-N-(1-ethylcyclobutyl)-2-methyl-5-sulfamoylbenzamide?
The canonical SMILES for 3-chloro-N-(1-ethylcyclobutyl)-2-methyl-5-sulfamoylbenzamide is CCC1(NC(=O)c2cc(S(N)(=O)=O)cc(Cl)c2C)CCC1.
What is the InChIKey of 3-chloro-N-(1-ethylcyclobutyl)-2-methyl-5-sulfamoylbenzamide?
The InChIKey is TXHYDQXHUVFCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c1-3-14(5-4-6-14)17-13(18)11-7-10(21(16,19)20)8-12(15)9(11)2/h7-8H,3-6H2,1-2H3,(H,17,18)(H2,16,19,20).
What are the key properties of 3-chloro-N-(1-ethylcyclobutyl)-2-methyl-5-sulfamoylbenzamide?
3-chloro-N-(1-ethylcyclobutyl)-2-methyl-5-sulfamoylbenzamide has a molecular weight of 330.84 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-ethylcyclobutyl)-2-methyl-5-sulfamoylbenzamide is sourced from PubChem (CID 107101056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).