N-cyclobutyl-3-[[(3R)-oxan-3-yl]methylsulfamoyl]benzamide

C17H24N2O4S — CID 97192873

IUPACN-cyclobutyl-3-[[(3R)-oxan-3-yl]methylsulfamoyl]benzamide
SMILESO=C(NC1CCC1)c1cccc(S(=O)(=O)NC[C@H]2CCCOC2)c1
InChIInChI=1S/C17H24N2O4S/c20-17(19-15-6-2-7-15)14-5-1-8-16(10-14)24(21,22)18-11-13-4-3-9-23-12-13/h1,5,8,10,13,15,18H,2-4,6-7,9,11-12H2,(H,19,20)/t13-/m1/s1
InChIKeyWKLFLUDKDQCFJN-CYBMUJFWSA-N
MW352.46 g/mol
LogP1.67
Rot. Bonds6

About N-cyclobutyl-3-[[(3R)-oxan-3-yl]methylsulfamoyl]benzamide

N-cyclobutyl-3-[[(3R)-oxan-3-yl]methylsulfamoyl]benzamide (PubChem CID 97192873) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-cyclobutyl-3-[[(3R)-oxan-3-yl]methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-cyclobutyl-3-[[(3R)-oxan-3-yl]methylsulfamoyl]benzamide
PubChem CID97192873
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC NameN-cyclobutyl-3-[[(3R)-oxan-3-yl]methylsulfamoyl]benzamide
SMILESO=C(NC1CCC1)c1cccc(S(=O)(=O)NC[C@H]2CCCOC2)c1
InChIInChI=1S/C17H24N2O4S/c20-17(19-15-6-2-7-15)14-5-1-8-16(10-14)24(21,22)18-11-13-4-3-9-23-12-13/h1,5,8,10,13,15,18H,2-4,6-7,9,11-12H2,(H,19,20)/t13-/m1/s1
InChIKeyWKLFLUDKDQCFJN-CYBMUJFWSA-N
XLogP1.67
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxan-3-ylmethyl)benzenesulfonamide
CID 47320394
3-(oxan-4-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide
CID 77097621
3-(azetidine-1-carbonyl)-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
CID 99936530
4-[[(3S)-oxan-3-yl]methylsulfamoyl]benzoic acid
CID 51892056
3-[[(3S)-oxolan-3-yl]methylsulfamoyl]-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 99941962
3-(oxolan-3-ylmethylsulfamoyl)-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 77091188
N-cyclopentyl-3-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 72938546
4-acetyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 47320408
3-(benzylsulfamoyl)-N-cyclopropylbenzamide
CID 9165600
3-(cyclohexylsulfamoyl)-N-cyclopentylbenzamide
CID 109063195
3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-N-[(3S)-oxolan-3-yl]benzamide
CID 97187419
N-cycloheptyl-3-[2-(dimethylamino)ethylsulfamoyl]benzamide
CID 109063994

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-3-[[(3R)-oxan-3-yl]methylsulfamoyl]benzamide?
The IUPAC name of N-cyclobutyl-3-[[(3R)-oxan-3-yl]methylsulfamoyl]benzamide (CID 97192873) is N-cyclobutyl-3-[[(3R)-oxan-3-yl]methylsulfamoyl]benzamide.
What is the SMILES notation for N-cyclobutyl-3-[[(3R)-oxan-3-yl]methylsulfamoyl]benzamide?
The canonical SMILES for N-cyclobutyl-3-[[(3R)-oxan-3-yl]methylsulfamoyl]benzamide is O=C(NC1CCC1)c1cccc(S(=O)(=O)NC[C@H]2CCCOC2)c1.
What is the InChIKey of N-cyclobutyl-3-[[(3R)-oxan-3-yl]methylsulfamoyl]benzamide?
The InChIKey is WKLFLUDKDQCFJN-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H24N2O4S/c20-17(19-15-6-2-7-15)14-5-1-8-16(10-14)24(21,22)18-11-13-4-3-9-23-12-13/h1,5,8,10,13,15,18H,2-4,6-7,9,11-12H2,(H,19,20)/t13-/m1/s1.
What are the key properties of N-cyclobutyl-3-[[(3R)-oxan-3-yl]methylsulfamoyl]benzamide?
N-cyclobutyl-3-[[(3R)-oxan-3-yl]methylsulfamoyl]benzamide has a molecular weight of 352.46 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-3-[[(3R)-oxan-3-yl]methylsulfamoyl]benzamide is sourced from PubChem (CID 97192873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).