1-(4-chlorophenyl)-3-[(3R)-1-[2,3-difluoro-4-[2-(methanesulfonamido)phenyl]phenyl]-2-oxopyrrolidin-3-yl]urea

C24H21ClF2N4O4S — CID 139450992

IUPAC1-(4-chlorophenyl)-3-[(3R)-1-[2,3-difluoro-4-[2-(methanesulfonamido)phenyl]phenyl]-2-oxopyrrolidin-3-yl]urea
SMILESCS(=O)(=O)Nc1ccccc1-c1ccc(N2CC[C@@H](NC(=O)Nc3ccc(Cl)cc3)C2=O)c(F)c1F
InChIInChI=1S/C24H21ClF2N4O4S/c1-36(34,35)30-18-5-3-2-4-16(18)17-10-11-20(22(27)21(17)26)31-13-12-19(23(31)32)29-24(33)28-15-8-6-14(25)7-9-15/h2-11,19,30H,12-13H2,1H3,(H2,28,29,33)/t19-/m1/s1
InChIKeyDRKGINSLGNGEEM-LJQANCHMSA-N
MW534.97 g/mol
LogP4.58
Rot. Bonds6

About 1-(4-chlorophenyl)-3-[(3R)-1-[2,3-difluoro-4-[2-(methanesulfonamido)phenyl]phenyl]-2-oxopyrrolidin-3-yl]urea

1-(4-chlorophenyl)-3-[(3R)-1-[2,3-difluoro-4-[2-(methanesulfonamido)phenyl]phenyl]-2-oxopyrrolidin-3-yl]urea (PubChem CID 139450992) has the molecular formula C24H21ClF2N4O4S and a molecular weight of 534.97 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(3R)-1-[2,3-difluoro-4-[2-(methanesulfonamido)phenyl]phenyl]-2-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(3R)-1-[2,3-difluoro-4-[2-(methanesulfonamido)phenyl]phenyl]-2-oxopyrrolidin-3-yl]urea
PubChem CID139450992
Molecular FormulaC24H21ClF2N4O4S
Molecular Weight534.97 g/mol
Exact Mass534.09
IUPAC Name1-(4-chlorophenyl)-3-[(3R)-1-[2,3-difluoro-4-[2-(methanesulfonamido)phenyl]phenyl]-2-oxopyrrolidin-3-yl]urea
SMILESCS(=O)(=O)Nc1ccccc1-c1ccc(N2CC[C@@H](NC(=O)Nc3ccc(Cl)cc3)C2=O)c(F)c1F
InChIInChI=1S/C24H21ClF2N4O4S/c1-36(34,35)30-18-5-3-2-4-16(18)17-10-11-20(22(27)21(17)26)31-13-12-19(23(31)32)29-24(33)28-15-8-6-14(25)7-9-15/h2-11,19,30H,12-13H2,1H3,(H2,28,29,33)/t19-/m1/s1
InChIKeyDRKGINSLGNGEEM-LJQANCHMSA-N
XLogP4.58
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.97
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(3R)-1-[2,3-difluoro-4-[2-(methanesulfonamido)phenyl]phenyl]-2-oxopyrrolidin-3-yl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(3R)-1-[2,3-difluoro-4-[2-(methanesulfonamido)phenyl]phenyl]-2-oxopyrrolidin-3-yl]urea (CID 139450992) is 1-(4-chlorophenyl)-3-[(3R)-1-[2,3-difluoro-4-[2-(methanesulfonamido)phenyl]phenyl]-2-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(3R)-1-[2,3-difluoro-4-[2-(methanesulfonamido)phenyl]phenyl]-2-oxopyrrolidin-3-yl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(3R)-1-[2,3-difluoro-4-[2-(methanesulfonamido)phenyl]phenyl]-2-oxopyrrolidin-3-yl]urea is CS(=O)(=O)Nc1ccccc1-c1ccc(N2CC[C@@H](NC(=O)Nc3ccc(Cl)cc3)C2=O)c(F)c1F.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(3R)-1-[2,3-difluoro-4-[2-(methanesulfonamido)phenyl]phenyl]-2-oxopyrrolidin-3-yl]urea?
The InChIKey is DRKGINSLGNGEEM-LJQANCHMSA-N. The full InChI is InChI=1S/C24H21ClF2N4O4S/c1-36(34,35)30-18-5-3-2-4-16(18)17-10-11-20(22(27)21(17)26)31-13-12-19(23(31)32)29-24(33)28-15-8-6-14(25)7-9-15/h2-11,19,30H,12-13H2,1H3,(H2,28,29,33)/t19-/m1/s1.
What are the key properties of 1-(4-chlorophenyl)-3-[(3R)-1-[2,3-difluoro-4-[2-(methanesulfonamido)phenyl]phenyl]-2-oxopyrrolidin-3-yl]urea?
1-(4-chlorophenyl)-3-[(3R)-1-[2,3-difluoro-4-[2-(methanesulfonamido)phenyl]phenyl]-2-oxopyrrolidin-3-yl]urea has a molecular weight of 534.97 g/mol, XLogP of 4.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(3R)-1-[2,3-difluoro-4-[2-(methanesulfonamido)phenyl]phenyl]-2-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 139450992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).