4-tert-butyl-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)benzenesulfonamide

C17H24N2O3S — CID 110719814

IUPAC4-tert-butyl-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NC2CC(=O)N(C3CC3)C2)cc1
InChIInChI=1S/C17H24N2O3S/c1-17(2,3)12-4-8-15(9-5-12)23(21,22)18-13-10-16(20)19(11-13)14-6-7-14/h4-5,8-9,13-14,18H,6-7,10-11H2,1-3H3
InChIKeyRVFLHVPDZVRUJL-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.03
Rot. Bonds4

About 4-tert-butyl-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)benzenesulfonamide

4-tert-butyl-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)benzenesulfonamide (PubChem CID 110719814) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is 4-tert-butyl-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)benzenesulfonamide
PubChem CID110719814
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name4-tert-butyl-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NC2CC(=O)N(C3CC3)C2)cc1
InChIInChI=1S/C17H24N2O3S/c1-17(2,3)12-4-8-15(9-5-12)23(21,22)18-13-10-16(20)19(11-13)14-6-7-14/h4-5,8-9,13-14,18H,6-7,10-11H2,1-3H3
InChIKeyRVFLHVPDZVRUJL-UHFFFAOYSA-N
XLogP2.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 95985260
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-4-methylbenzenesulfonamide
CID 110719771
3,4-dichloro-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 110719783
N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2,6-difluorobenzenesulfonamide
CID 95985258
N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 110736572
4-fluoro-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564806
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-4-ethoxybenzenesulfonamide
CID 110736987
1-(4-chlorophenyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)methanesulfonamide
CID 110719803
4-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]benzoic acid
CID 43971395
(4R)-1-cycloheptyl-4-(dimethylsulfamoylamino)-2-oxopyrrolidine
CID 26323883
4-methoxy-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide
CID 7564467
4-tert-butyl-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]benzenesulfonamide
CID 42361479

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)benzenesulfonamide (CID 110719814) is 4-tert-butyl-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)NC2CC(=O)N(C3CC3)C2)cc1.
What is the InChIKey of 4-tert-butyl-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)benzenesulfonamide?
The InChIKey is RVFLHVPDZVRUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-17(2,3)12-4-8-15(9-5-12)23(21,22)18-13-10-16(20)19(11-13)14-6-7-14/h4-5,8-9,13-14,18H,6-7,10-11H2,1-3H3.
What are the key properties of 4-tert-butyl-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)benzenesulfonamide?
4-tert-butyl-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)benzenesulfonamide has a molecular weight of 336.46 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 110719814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).