4-chloro-N-[(1-methoxycyclobutyl)methyl]-3-sulfamoylbenzamide

C13H17ClN2O4S — CID 103991217

IUPAC4-chloro-N-[(1-methoxycyclobutyl)methyl]-3-sulfamoylbenzamide
SMILESCOC1(CNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CCC1
InChIInChI=1S/C13H17ClN2O4S/c1-20-13(5-2-6-13)8-16-12(17)9-3-4-10(14)11(7-9)21(15,18)19/h3-4,7H,2,5-6,8H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyHQHFAOAQSSAOCK-UHFFFAOYSA-N
MW332.81 g/mol
LogP1.29
Rot. Bonds5

About 4-chloro-N-[(1-methoxycyclobutyl)methyl]-3-sulfamoylbenzamide

4-chloro-N-[(1-methoxycyclobutyl)methyl]-3-sulfamoylbenzamide (PubChem CID 103991217) has the molecular formula C13H17ClN2O4S and a molecular weight of 332.81 g/mol. Its IUPAC name is 4-chloro-N-[(1-methoxycyclobutyl)methyl]-3-sulfamoylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[(1-methoxycyclobutyl)methyl]-3-sulfamoylbenzamide
PubChem CID103991217
Molecular FormulaC13H17ClN2O4S
Molecular Weight332.81 g/mol
Exact Mass332.06
IUPAC Name4-chloro-N-[(1-methoxycyclobutyl)methyl]-3-sulfamoylbenzamide
SMILESCOC1(CNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CCC1
InChIInChI=1S/C13H17ClN2O4S/c1-20-13(5-2-6-13)8-16-12(17)9-3-4-10(14)11(7-9)21(15,18)19/h3-4,7H,2,5-6,8H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyHQHFAOAQSSAOCK-UHFFFAOYSA-N
XLogP1.29
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-3-sulfamoylbenzamide
CID 103839298
3-chloro-N-[(1-methoxycyclobutyl)methyl]-4-nitrobenzamide
CID 103993332
4-chloro-N-methyl-3-sulfamoylbenzamide
CID 60637185
4-bromo-N-[(1-methylcyclobutyl)methyl]-3-sulfamoylbenzamide
CID 113252067
2-fluoro-N-[(1-methoxycyclobutyl)methyl]-5-sulfamoylbenzamide
CID 103991189
4-chloro-N-(3-ethylpentan-3-yl)-3-sulfamoylbenzamide
CID 65380198
4-chloro-3-sulfamoyl-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 2566555
N-[(1-methoxycyclobutyl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 75451316
methyl 4-(4-chloro-3-sulfamoylphenyl)-4-oxobutanoate
CID 23329129
4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-3-sulfamoylbenzamide
CID 70598414
4-chloro-3-sulfamoyl-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79360203
4-chloro-N-(1-methoxy-3-methylbutan-2-yl)-3-sulfamoylbenzamide
CID 65381406

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1-methoxycyclobutyl)methyl]-3-sulfamoylbenzamide?
The IUPAC name of 4-chloro-N-[(1-methoxycyclobutyl)methyl]-3-sulfamoylbenzamide (CID 103991217) is 4-chloro-N-[(1-methoxycyclobutyl)methyl]-3-sulfamoylbenzamide.
What is the SMILES notation for 4-chloro-N-[(1-methoxycyclobutyl)methyl]-3-sulfamoylbenzamide?
The canonical SMILES for 4-chloro-N-[(1-methoxycyclobutyl)methyl]-3-sulfamoylbenzamide is COC1(CNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CCC1.
What is the InChIKey of 4-chloro-N-[(1-methoxycyclobutyl)methyl]-3-sulfamoylbenzamide?
The InChIKey is HQHFAOAQSSAOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O4S/c1-20-13(5-2-6-13)8-16-12(17)9-3-4-10(14)11(7-9)21(15,18)19/h3-4,7H,2,5-6,8H2,1H3,(H,16,17)(H2,15,18,19).
What are the key properties of 4-chloro-N-[(1-methoxycyclobutyl)methyl]-3-sulfamoylbenzamide?
4-chloro-N-[(1-methoxycyclobutyl)methyl]-3-sulfamoylbenzamide has a molecular weight of 332.81 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1-methoxycyclobutyl)methyl]-3-sulfamoylbenzamide is sourced from PubChem (CID 103991217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).