5-[(3-hydroxycyclobutyl)methylsulfamoyl]-2-methoxybenzamide

C13H18N2O5S — CID 66006744

IUPAC5-[(3-hydroxycyclobutyl)methylsulfamoyl]-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)NCC2CC(O)C2)cc1C(N)=O
InChIInChI=1S/C13H18N2O5S/c1-20-12-3-2-10(6-11(12)13(14)17)21(18,19)15-7-8-4-9(16)5-8/h2-3,6,8-9,15-16H,4-5,7H2,1H3,(H2,14,17)
InChIKeyRKAIEAXJULPGBT-UHFFFAOYSA-N
MW314.36 g/mol
LogP-0.16
Rot. Bonds6

About 5-[(3-hydroxycyclobutyl)methylsulfamoyl]-2-methoxybenzamide

5-[(3-hydroxycyclobutyl)methylsulfamoyl]-2-methoxybenzamide (PubChem CID 66006744) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is 5-[(3-hydroxycyclobutyl)methylsulfamoyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-[(3-hydroxycyclobutyl)methylsulfamoyl]-2-methoxybenzamide
PubChem CID66006744
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Name5-[(3-hydroxycyclobutyl)methylsulfamoyl]-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)NCC2CC(O)C2)cc1C(N)=O
InChIInChI=1S/C13H18N2O5S/c1-20-12-3-2-10(6-11(12)13(14)17)21(18,19)15-7-8-4-9(16)5-8/h2-3,6,8-9,15-16H,4-5,7H2,1H3,(H2,14,17)
InChIKeyRKAIEAXJULPGBT-UHFFFAOYSA-N
XLogP-0.16
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-5-(pyrrolidin-3-ylmethylsulfamoyl)benzamide;hydrochloride
CID 120721043
2-methoxy-5-(pyrrolidin-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119974021
5-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]-2-methoxybenzamide
CID 146024625
5-[(3-hydroxycyclobutyl)methylsulfamoyl]-2-methylbenzoic acid
CID 66004912
5-[(2-hydroxy-2-methylpropyl)sulfamoyl]-2-methoxybenzamide
CID 65113342
5-[(3,3-dimethylpiperidin-2-yl)methylsulfamoyl]-2-methoxybenzamide;hydrochloride
CID 120666289
5-[(1-aminocyclohexyl)methylsulfamoyl]-2-methoxybenzamide
CID 119958906
2-methoxy-5-(3-pyrrolidin-1-ylpropylsulfamoyl)benzamide
CID 53499321
N-(cycloheptylmethyl)-3,4-dimethoxybenzenesulfonamide
CID 3739924
5-(tert-butylsulfamoyl)-2-methoxybenzamide
CID 42562024
2-methoxy-5-[(4-methylpiperidin-4-yl)methylsulfamoyl]benzamide;hydrochloride
CID 120720413
5-[[1-(dimethylamino)-4-methylcyclohexyl]methylsulfamoyl]-2-methoxybenzamide
CID 146022773

Frequently Asked Questions

What is the IUPAC name of 5-[(3-hydroxycyclobutyl)methylsulfamoyl]-2-methoxybenzamide?
The IUPAC name of 5-[(3-hydroxycyclobutyl)methylsulfamoyl]-2-methoxybenzamide (CID 66006744) is 5-[(3-hydroxycyclobutyl)methylsulfamoyl]-2-methoxybenzamide.
What is the SMILES notation for 5-[(3-hydroxycyclobutyl)methylsulfamoyl]-2-methoxybenzamide?
The canonical SMILES for 5-[(3-hydroxycyclobutyl)methylsulfamoyl]-2-methoxybenzamide is COc1ccc(S(=O)(=O)NCC2CC(O)C2)cc1C(N)=O.
What is the InChIKey of 5-[(3-hydroxycyclobutyl)methylsulfamoyl]-2-methoxybenzamide?
The InChIKey is RKAIEAXJULPGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c1-20-12-3-2-10(6-11(12)13(14)17)21(18,19)15-7-8-4-9(16)5-8/h2-3,6,8-9,15-16H,4-5,7H2,1H3,(H2,14,17).
What are the key properties of 5-[(3-hydroxycyclobutyl)methylsulfamoyl]-2-methoxybenzamide?
5-[(3-hydroxycyclobutyl)methylsulfamoyl]-2-methoxybenzamide has a molecular weight of 314.36 g/mol, XLogP of -0.16, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-hydroxycyclobutyl)methylsulfamoyl]-2-methoxybenzamide is sourced from PubChem (CID 66006744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).