N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide

C18H17F3N2O3S — CID 25420136

IUPACN-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)ccc1N1CCCC1=O
InChIInChI=1S/C18H17F3N2O3S/c1-12-10-14(7-8-16(12)23-9-3-6-17(23)24)22-27(25,26)15-5-2-4-13(11-15)18(19,20)21/h2,4-5,7-8,10-11,22H,3,6,9H2,1H3
InChIKeyWVXUAZZNBQIPJQ-UHFFFAOYSA-N
MW398.41 g/mol
LogP3.94
Rot. Bonds4

About N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide

N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 25420136) has the molecular formula C18H17F3N2O3S and a molecular weight of 398.41 g/mol. Its IUPAC name is N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID25420136
Molecular FormulaC18H17F3N2O3S
Molecular Weight398.41 g/mol
Exact Mass398.09
IUPAC NameN-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)ccc1N1CCCC1=O
InChIInChI=1S/C18H17F3N2O3S/c1-12-10-14(7-8-16(12)23-9-3-6-17(23)24)22-27(25,26)15-5-2-4-13(11-15)18(19,20)21/h2,4-5,7-8,10-11,22H,3,6,9H2,1H3
InChIKeyWVXUAZZNBQIPJQ-UHFFFAOYSA-N
XLogP3.94
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635821
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 99954159
N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]naphthalene-2-sulfonamide
CID 7636178
4-N,4-N-dimethyl-1-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzene-1,4-disulfonamide
CID 24602878
4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 99957298
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 7635815
6-methoxy-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]naphthalene-2-sulfonamide
CID 100540031
3-methyl-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 92671612
2,4,5-trimethyl-N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636155
3-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30782510
3-bromo-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 86939876
5-methyl-N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]thiophene-2-sulfonamide
CID 7636189

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide (CID 25420136) is N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)ccc1N1CCCC1=O.
What is the InChIKey of N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is WVXUAZZNBQIPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3S/c1-12-10-14(7-8-16(12)23-9-3-6-17(23)24)22-27(25,26)15-5-2-4-13(11-15)18(19,20)21/h2,4-5,7-8,10-11,22H,3,6,9H2,1H3.
What are the key properties of N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 398.41 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 25420136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).