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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Related Compounds

3-chloro-2-methyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide
CID 107100939
3-chloro-N-(1-cyclobutylethyl)-2-methyl-5-sulfamoylbenzamide
CID 107101061
3-chloro-N-(2-methoxyethyl)-2-methyl-5-sulfamoylbenzamide
CID 107100880
3-chloro-2-methyl-5-sulfamoylbenzamide
CID 107100898
3-chloro-N-(3-cyclopropylpropyl)-2-methyl-5-sulfamoylbenzamide
CID 107101066
3-chloro-2-methyl-N-(oxan-3-yl)-5-sulfamoylbenzamide
CID 107100983
3-chloro-2-methyl-N-(1-methylsulfinylpropan-2-yl)-5-sulfamoylbenzamide
CID 107101053
3,5-dibromo-N-(1-ethylcyclobutyl)benzamide
CID 107980571
2-[1-[(2-methyl-5-sulfamoylbenzoyl)amino]cyclohexyl]acetic acid
CID 91835801
3-methoxypropyl 3-chloro-2-methyl-5-sulfamoylbenzoate
CID 107101090
3-[(1-ethylcyclobutyl)carbamoyl]benzenesulfonyl chloride
CID 113488782
2,6-dichloro-N-(1-ethylcyclobutyl)pyridine-3-carboxamide
CID 103721956

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).