3-(oxan-4-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide

C17H25N3O4S — CID 77097621

IUPAC3-(oxan-4-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide
SMILESO=C(NC1CCNC1)c1cccc(S(=O)(=O)NCC2CCOCC2)c1
InChIInChI=1S/C17H25N3O4S/c21-17(20-15-4-7-18-12-15)14-2-1-3-16(10-14)25(22,23)19-11-13-5-8-24-9-6-13/h1-3,10,13,15,18-19H,4-9,11-12H2,(H,20,21)
InChIKeyBIKZEHSYUBRWDO-UHFFFAOYSA-N
MW367.47 g/mol
LogP0.48
Rot. Bonds6

About 3-(oxan-4-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide

3-(oxan-4-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide (PubChem CID 77097621) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is 3-(oxan-4-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name3-(oxan-4-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide
PubChem CID77097621
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC Name3-(oxan-4-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide
SMILESO=C(NC1CCNC1)c1cccc(S(=O)(=O)NCC2CCOCC2)c1
InChIInChI=1S/C17H25N3O4S/c21-17(20-15-4-7-18-12-15)14-2-1-3-16(10-14)25(22,23)19-11-13-5-8-24-9-6-13/h1-3,10,13,15,18-19H,4-9,11-12H2,(H,20,21)
InChIKeyBIKZEHSYUBRWDO-UHFFFAOYSA-N
XLogP0.48
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(cyclopropylsulfamoyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450174
3-(pyridin-3-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide
CID 77084633
N-cyclobutyl-3-[[(3R)-oxan-3-yl]methylsulfamoyl]benzamide
CID 97192873
3-(cyclopropylmethylsulfamoyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 47039154
N-piperidin-3-yl-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride
CID 119424241
3-(cyclopropylmethylsulfamoyl)-N-(2-piperidin-3-ylethyl)benzamide
CID 119558611
3-(2-pyrazin-2-ylethylsulfamoyl)-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 99928832
3-(cyclopentylsulfamoyl)-N-piperidin-3-ylbenzamide
CID 119424342
3-[3-(1H-imidazol-2-yl)propylsulfamoyl]-N-pyrrolidin-3-ylbenzamide
CID 77091912
3-(1-phenylethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide
CID 119451588
4-(oxolan-2-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide
CID 119450353
3-(azetidine-1-carbonyl)-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
CID 99936530

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 3-(oxan-4-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide (CID 77097621) is 3-(oxan-4-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 3-(oxan-4-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 3-(oxan-4-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide is O=C(NC1CCNC1)c1cccc(S(=O)(=O)NCC2CCOCC2)c1.
What is the InChIKey of 3-(oxan-4-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide?
The InChIKey is BIKZEHSYUBRWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c21-17(20-15-4-7-18-12-15)14-2-1-3-16(10-14)25(22,23)19-11-13-5-8-24-9-6-13/h1-3,10,13,15,18-19H,4-9,11-12H2,(H,20,21).
What are the key properties of 3-(oxan-4-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide?
3-(oxan-4-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide has a molecular weight of 367.47 g/mol, XLogP of 0.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 77097621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).