1-(3-chlorophenyl)-3-[2-[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]sulfonylethyl]urea

C25H23ClFN3O3S — CID 16918142

IUPAC1-(3-chlorophenyl)-3-[2-[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]sulfonylethyl]urea
SMILESCc1c(S(=O)(=O)CCNC(=O)Nc2cccc(Cl)c2)c2ccccc2n1Cc1ccc(F)cc1
InChIInChI=1S/C25H23ClFN3O3S/c1-17-24(34(32,33)14-13-28-25(31)29-21-6-4-5-19(26)15-21)22-7-2-3-8-23(22)30(17)16-18-9-11-20(27)12-10-18/h2-12,15H,13-14,16H2,1H3,(H2,28,29,31)
InChIKeyRMSQPXJMLFETBP-UHFFFAOYSA-N
MW500.00 g/mol
LogP5.39
Rot. Bonds7

About 1-(3-chlorophenyl)-3-[2-[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]sulfonylethyl]urea

1-(3-chlorophenyl)-3-[2-[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]sulfonylethyl]urea (PubChem CID 16918142) has the molecular formula C25H23ClFN3O3S and a molecular weight of 500.00 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[2-[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]sulfonylethyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[2-[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]sulfonylethyl]urea
PubChem CID16918142
Molecular FormulaC25H23ClFN3O3S
Molecular Weight500.00 g/mol
Exact Mass499.11
IUPAC Name1-(3-chlorophenyl)-3-[2-[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]sulfonylethyl]urea
SMILESCc1c(S(=O)(=O)CCNC(=O)Nc2cccc(Cl)c2)c2ccccc2n1Cc1ccc(F)cc1
InChIInChI=1S/C25H23ClFN3O3S/c1-17-24(34(32,33)14-13-28-25(31)29-21-6-4-5-19(26)15-21)22-7-2-3-8-23(22)30(17)16-18-9-11-20(27)12-10-18/h2-12,15H,13-14,16H2,1H3,(H2,28,29,31)
InChIKeyRMSQPXJMLFETBP-UHFFFAOYSA-N
XLogP5.39
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.00
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-[2-[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]sulfonylethyl]urea
CID 16918161
1-[2-(1-benzyl-2-methylindol-3-yl)sulfonylethyl]-3-(3,5-dimethylphenyl)urea
CID 16918119
1-[2-(1-benzyl-2-methylindol-3-yl)sulfonylethyl]-3-(2,6-difluorophenyl)urea
CID 16918115
1-[2-(1-benzyl-2-methylindol-3-yl)sulfonylethyl]-3-(2-fluorophenyl)urea
CID 16918109
1-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]-3-phenylurea
CID 16918046
1-[2-(1-benzyl-2-methylindol-3-yl)sulfonylethyl]-3-(thiophen-2-ylmethyl)urea
CID 16918123
1-(3,5-dimethoxyphenyl)-3-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]urea
CID 16918083
1-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 16918081
2-[5-chloro-1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-N-(3-chlorophenyl)-2-oxoacetamide
CID 53307127
1-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]-3-(2-phenylethyl)urea
CID 16918063
1-(3-chlorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]urea
CID 110601749
1-[(4-fluorophenyl)methyl]-3-[2-[(2-methyl-1H-indol-3-yl)sulfonyl]ethyl]urea
CID 16918037

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[2-[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]sulfonylethyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[2-[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]sulfonylethyl]urea (CID 16918142) is 1-(3-chlorophenyl)-3-[2-[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]sulfonylethyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[2-[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]sulfonylethyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[2-[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]sulfonylethyl]urea is Cc1c(S(=O)(=O)CCNC(=O)Nc2cccc(Cl)c2)c2ccccc2n1Cc1ccc(F)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[2-[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]sulfonylethyl]urea?
The InChIKey is RMSQPXJMLFETBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFN3O3S/c1-17-24(34(32,33)14-13-28-25(31)29-21-6-4-5-19(26)15-21)22-7-2-3-8-23(22)30(17)16-18-9-11-20(27)12-10-18/h2-12,15H,13-14,16H2,1H3,(H2,28,29,31).
What are the key properties of 1-(3-chlorophenyl)-3-[2-[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]sulfonylethyl]urea?
1-(3-chlorophenyl)-3-[2-[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]sulfonylethyl]urea has a molecular weight of 500.00 g/mol, XLogP of 5.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[2-[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]sulfonylethyl]urea is sourced from PubChem (CID 16918142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).