1-(2,4-difluorophenyl)-3-[1-[3-(methanesulfonamido)phenyl]ethyl]urea

C16H17F2N3O3S — CID 47050813

IUPAC1-(2,4-difluorophenyl)-3-[1-[3-(methanesulfonamido)phenyl]ethyl]urea
SMILESCC(NC(=O)Nc1ccc(F)cc1F)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C16H17F2N3O3S/c1-10(11-4-3-5-13(8-11)21-25(2,23)24)19-16(22)20-15-7-6-12(17)9-14(15)18/h3-10,21H,1-2H3,(H2,19,20,22)
InChIKeyRVBLCAQVRITVCS-UHFFFAOYSA-N
MW369.39 g/mol
LogP3.22
Rot. Bonds5

About 1-(2,4-difluorophenyl)-3-[1-[3-(methanesulfonamido)phenyl]ethyl]urea

1-(2,4-difluorophenyl)-3-[1-[3-(methanesulfonamido)phenyl]ethyl]urea (PubChem CID 47050813) has the molecular formula C16H17F2N3O3S and a molecular weight of 369.39 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[1-[3-(methanesulfonamido)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[1-[3-(methanesulfonamido)phenyl]ethyl]urea
PubChem CID47050813
Molecular FormulaC16H17F2N3O3S
Molecular Weight369.39 g/mol
Exact Mass369.10
IUPAC Name1-(2,4-difluorophenyl)-3-[1-[3-(methanesulfonamido)phenyl]ethyl]urea
SMILESCC(NC(=O)Nc1ccc(F)cc1F)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C16H17F2N3O3S/c1-10(11-4-3-5-13(8-11)21-25(2,23)24)19-16(22)20-15-7-6-12(17)9-14(15)18/h3-10,21H,1-2H3,(H2,19,20,22)
InChIKeyRVBLCAQVRITVCS-UHFFFAOYSA-N
XLogP3.22
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-3-[(1R)-1-phenylethyl]urea
CID 51579251
1-ethyl-3-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]urea
CID 94196351
N-(2,4-difluorophenyl)-2-(phenylcarbamoylamino)propanamide
CID 51158539
1-[(1S)-1-(3-chlorophenyl)ethyl]-3-(4-fluoro-2-methylphenyl)urea
CID 51945133
N-(2,4-difluorophenyl)-N'-[(1R)-1-phenylethyl]oxamide
CID 7393082
1-(2-cyano-4-fluorophenyl)-3-[1-[2-(methanesulfonamido)phenyl]ethyl]urea
CID 78896037
2-[(2,4-difluorophenyl)carbamoylamino]propanoic acid
CID 43288482
1-[1-(3-aminophenyl)ethyl]-3-(2-fluorophenyl)urea
CID 43298097
1-N-(2,4-difluorophenyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109054492
1-(5-fluoro-2-methylphenyl)-3-[(1S)-1-phenylethyl]urea
CID 51944551
1-(2,4-difluorophenyl)-3-(2-fluoro-4-propan-2-ylphenyl)urea
CID 146780735
1-(2-fluorophenyl)-3-[(1S)-1-phenylethyl]urea
CID 6995379

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[1-[3-(methanesulfonamido)phenyl]ethyl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[1-[3-(methanesulfonamido)phenyl]ethyl]urea (CID 47050813) is 1-(2,4-difluorophenyl)-3-[1-[3-(methanesulfonamido)phenyl]ethyl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[1-[3-(methanesulfonamido)phenyl]ethyl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[1-[3-(methanesulfonamido)phenyl]ethyl]urea is CC(NC(=O)Nc1ccc(F)cc1F)c1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[1-[3-(methanesulfonamido)phenyl]ethyl]urea?
The InChIKey is RVBLCAQVRITVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O3S/c1-10(11-4-3-5-13(8-11)21-25(2,23)24)19-16(22)20-15-7-6-12(17)9-14(15)18/h3-10,21H,1-2H3,(H2,19,20,22).
What are the key properties of 1-(2,4-difluorophenyl)-3-[1-[3-(methanesulfonamido)phenyl]ethyl]urea?
1-(2,4-difluorophenyl)-3-[1-[3-(methanesulfonamido)phenyl]ethyl]urea has a molecular weight of 369.39 g/mol, XLogP of 3.22, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[1-[3-(methanesulfonamido)phenyl]ethyl]urea is sourced from PubChem (CID 47050813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).