N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C24H22F2N2O4S — CID 24511066

IUPACN-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESO=C1CCCN1c1ccc(S(=O)(=O)NC(c2ccccc2)c2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C24H22F2N2O4S/c25-24(26)32-20-12-8-18(9-13-20)23(17-5-2-1-3-6-17)27-33(30,31)21-14-10-19(11-15-21)28-16-4-7-22(28)29/h1-3,5-6,8-15,23-24,27H,4,7,16H2
InChIKeyUGZCBAVECZCDLQ-UHFFFAOYSA-N
MW472.51 g/mol
LogP4.48
Rot. Bonds8

About N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 24511066) has the molecular formula C24H22F2N2O4S and a molecular weight of 472.51 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID24511066
Molecular FormulaC24H22F2N2O4S
Molecular Weight472.51 g/mol
Exact Mass472.13
IUPAC NameN-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESO=C1CCCN1c1ccc(S(=O)(=O)NC(c2ccccc2)c2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C24H22F2N2O4S/c25-24(26)32-20-12-8-18(9-13-20)23(17-5-2-1-3-6-17)27-33(30,31)21-14-10-19(11-15-21)28-16-4-7-22(28)29/h1-3,5-6,8-15,23-24,27H,4,7,16H2
InChIKeyUGZCBAVECZCDLQ-UHFFFAOYSA-N
XLogP4.48
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.51
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(R)-(4-methylphenyl)-phenylmethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 28954772
4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylpropyl]benzenesulfonamide
CID 30386601
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 92684806
N-[1-(3,4-difluorophenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 51249075
N-[(2R)-3-methylbutan-2-yl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 41200777
N-(dicyclopropylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 31847318
4-(2-oxopyrrolidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8823939
N-[(2R)-butan-2-yl]-4-(2-oxopiperidin-1-yl)benzenesulfonamide
CID 42346693
4-(2-oxopyrrolidin-1-yl)-N-pentan-2-ylbenzenesulfonamide
CID 43886220
(2S)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]pentanedioic acid
CID 2231639
N-[(S)-(4-fluorophenyl)-phenylmethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 31111887
N-[4-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636091

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 24511066) is N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is O=C1CCCN1c1ccc(S(=O)(=O)NC(c2ccccc2)c2ccc(OC(F)F)cc2)cc1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is UGZCBAVECZCDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N2O4S/c25-24(26)32-20-12-8-18(9-13-20)23(17-5-2-1-3-6-17)27-33(30,31)21-14-10-19(11-15-21)28-16-4-7-22(28)29/h1-3,5-6,8-15,23-24,27H,4,7,16H2.
What are the key properties of N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 472.51 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 24511066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).