N-[2-[(2S)-butan-2-yl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C20H24N2O3S — CID 8822857

IUPACN-[2-[(2S)-butan-2-yl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCC[C@H](C)c1ccccc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H24N2O3S/c1-3-15(2)18-7-4-5-8-19(18)21-26(24,25)17-12-10-16(11-13-17)22-14-6-9-20(22)23/h4-5,7-8,10-13,15,21H,3,6,9,14H2,1-2H3/t15-/m0/s1
InChIKeyQYXINUHLRAEPOU-HNNXBMFYSA-N
MW372.49 g/mol
LogP4.13
Rot. Bonds6

About N-[2-[(2S)-butan-2-yl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

N-[2-[(2S)-butan-2-yl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 8822857) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[2-[(2S)-butan-2-yl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(2S)-butan-2-yl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID8822857
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-[2-[(2S)-butan-2-yl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCC[C@H](C)c1ccccc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H24N2O3S/c1-3-15(2)18-7-4-5-8-19(18)21-26(24,25)17-12-10-16(11-13-17)22-14-6-9-20(22)23/h4-5,7-8,10-13,15,21H,3,6,9,14H2,1-2H3/t15-/m0/s1
InChIKeyQYXINUHLRAEPOU-HNNXBMFYSA-N
XLogP4.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-butan-2-yl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide
CID 8823353
N-naphthalen-1-yl-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzenesulfonamide
CID 99955062
N-[(2R)-butan-2-yl]-4-(2-oxopiperidin-1-yl)benzenesulfonamide
CID 42346693
4-(2-oxopyrrolidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8823939
4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylpropyl]benzenesulfonamide
CID 30386601
4-(2-oxopyrrolidin-1-yl)-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 8823611
[(2R)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7952923
N-(2-butan-2-ylphenyl)-4-fluorobenzenesulfonamide
CID 4678520
4-(2-oxopyrrolidin-1-yl)-N-pentan-2-ylbenzenesulfonamide
CID 43886220
N-(4-methylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8823223
N-[2-[(2R)-butan-2-yl]phenyl]-4-(2-methylpropyl)benzenesulfonamide
CID 26012723
N-(2-butan-2-ylphenyl)-4-methoxybenzenesulfonamide
CID 3862587

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-butan-2-yl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-[2-[(2S)-butan-2-yl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 8822857) is N-[2-[(2S)-butan-2-yl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-[2-[(2S)-butan-2-yl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-[2-[(2S)-butan-2-yl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is CC[C@H](C)c1ccccc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-[2-[(2S)-butan-2-yl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is QYXINUHLRAEPOU-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-3-15(2)18-7-4-5-8-19(18)21-26(24,25)17-12-10-16(11-13-17)22-14-6-9-20(22)23/h4-5,7-8,10-13,15,21H,3,6,9,14H2,1-2H3/t15-/m0/s1.
What are the key properties of N-[2-[(2S)-butan-2-yl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
N-[2-[(2S)-butan-2-yl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 372.49 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-butan-2-yl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 8822857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).