4-(2-methylpyrrolidine-1-carbonyl)-N-(oxan-4-yl)benzenesulfonamide

C17H24N2O4S — CID 70710461

IUPAC4-(2-methylpyrrolidine-1-carbonyl)-N-(oxan-4-yl)benzenesulfonamide
SMILESCC1CCCN1C(=O)c1ccc(S(=O)(=O)NC2CCOCC2)cc1
InChIInChI=1S/C17H24N2O4S/c1-13-3-2-10-19(13)17(20)14-4-6-16(7-5-14)24(21,22)18-15-8-11-23-12-9-15/h4-7,13,15,18H,2-3,8-12H2,1H3
InChIKeyYUSMGLZYAVRTRF-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.77
Rot. Bonds4

About 4-(2-methylpyrrolidine-1-carbonyl)-N-(oxan-4-yl)benzenesulfonamide

4-(2-methylpyrrolidine-1-carbonyl)-N-(oxan-4-yl)benzenesulfonamide (PubChem CID 70710461) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is 4-(2-methylpyrrolidine-1-carbonyl)-N-(oxan-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methylpyrrolidine-1-carbonyl)-N-(oxan-4-yl)benzenesulfonamide
PubChem CID70710461
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name4-(2-methylpyrrolidine-1-carbonyl)-N-(oxan-4-yl)benzenesulfonamide
SMILESCC1CCCN1C(=O)c1ccc(S(=O)(=O)NC2CCOCC2)cc1
InChIInChI=1S/C17H24N2O4S/c1-13-3-2-10-19(13)17(20)14-4-6-16(7-5-14)24(21,22)18-15-8-11-23-12-9-15/h4-7,13,15,18H,2-3,8-12H2,1H3
InChIKeyYUSMGLZYAVRTRF-UHFFFAOYSA-N
XLogP1.77
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 18106374
N-cyclopropyl-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 154839161
N-cyclopropyl-4-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidine-1-carbonyl]benzenesulfonamide
CID 95592243
4-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl]-N-cyclopropylbenzenesulfonamide
CID 94133368
N-cycloheptyl-4-(2-ethylpiperidine-1-carbonyl)benzenesulfonamide
CID 109061212
4-[(2R)-2-methylpyrrolidine-1-carbonyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 97150016
4-(morpholine-4-carbonyl)-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960379
N-[(3-methyl-2-pyridinyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]benzenesulfonamide
CID 97154708
4-(oxan-4-ylsulfamoyl)-N-(oxolan-3-yl)benzamide
CID 70734205
(2-methylpiperidin-1-yl)-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 631597
[(2R)-2-methylpiperidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
CID 8502455
4-acetyl-N-(oxolan-3-yl)benzenesulfonamide
CID 80712927

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpyrrolidine-1-carbonyl)-N-(oxan-4-yl)benzenesulfonamide?
The IUPAC name of 4-(2-methylpyrrolidine-1-carbonyl)-N-(oxan-4-yl)benzenesulfonamide (CID 70710461) is 4-(2-methylpyrrolidine-1-carbonyl)-N-(oxan-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-(2-methylpyrrolidine-1-carbonyl)-N-(oxan-4-yl)benzenesulfonamide?
The canonical SMILES for 4-(2-methylpyrrolidine-1-carbonyl)-N-(oxan-4-yl)benzenesulfonamide is CC1CCCN1C(=O)c1ccc(S(=O)(=O)NC2CCOCC2)cc1.
What is the InChIKey of 4-(2-methylpyrrolidine-1-carbonyl)-N-(oxan-4-yl)benzenesulfonamide?
The InChIKey is YUSMGLZYAVRTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-13-3-2-10-19(13)17(20)14-4-6-16(7-5-14)24(21,22)18-15-8-11-23-12-9-15/h4-7,13,15,18H,2-3,8-12H2,1H3.
What are the key properties of 4-(2-methylpyrrolidine-1-carbonyl)-N-(oxan-4-yl)benzenesulfonamide?
4-(2-methylpyrrolidine-1-carbonyl)-N-(oxan-4-yl)benzenesulfonamide has a molecular weight of 352.46 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpyrrolidine-1-carbonyl)-N-(oxan-4-yl)benzenesulfonamide is sourced from PubChem (CID 70710461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).