4-[[1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)indol-4-yl]amino]piperidine-1-carboxylic acid

C21H20ClF2N3O4S — CID 126740569

IUPAC4-[[1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)indol-4-yl]amino]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Nc2cccc3c2c(C(F)F)cn3S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C21H20ClF2N3O4S/c22-15-4-1-2-7-18(15)32(30,31)27-12-14(20(23)24)19-16(5-3-6-17(19)27)25-13-8-10-26(11-9-13)21(28)29/h1-7,12-13,20,25H,8-11H2,(H,28,29)
InChIKeyBZRVFYGXGBMKGS-UHFFFAOYSA-N
MW483.92 g/mol
LogP5.02
Rot. Bonds5

About 4-[[1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)indol-4-yl]amino]piperidine-1-carboxylic acid

4-[[1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)indol-4-yl]amino]piperidine-1-carboxylic acid (PubChem CID 126740569) has the molecular formula C21H20ClF2N3O4S and a molecular weight of 483.92 g/mol. Its IUPAC name is 4-[[1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)indol-4-yl]amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)indol-4-yl]amino]piperidine-1-carboxylic acid
PubChem CID126740569
Molecular FormulaC21H20ClF2N3O4S
Molecular Weight483.92 g/mol
Exact Mass483.08
IUPAC Name4-[[1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)indol-4-yl]amino]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Nc2cccc3c2c(C(F)F)cn3S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C21H20ClF2N3O4S/c22-15-4-1-2-7-18(15)32(30,31)27-12-14(20(23)24)19-16(5-3-6-17(19)27)25-13-8-10-26(11-9-13)21(28)29/h1-7,12-13,20,25H,8-11H2,(H,28,29)
InChIKeyBZRVFYGXGBMKGS-UHFFFAOYSA-N
XLogP5.02
TPSA91.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.92
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)indol-4-yl]amino]piperidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-[[1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)indol-4-yl]amino]piperidine-1-carboxylate
CID 126740503
4-[[3-(difluoromethyl)-1-(4-methoxyphenyl)sulfonylindol-4-yl]amino]piperidine-1-carboxylic acid
CID 126740556
tert-butyl 4-[[1-(3-bromophenyl)sulfonyl-3-(difluoromethyl)indol-4-yl]amino]piperidine-1-carboxylate
CID 118648101
1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-4-piperidin-1-ylindole
CID 158620437
3-(difluoromethyl)-1-(4-fluorophenyl)sulfonyl-N-piperidin-4-ylindol-4-amine
CID 118654357
3-(difluoromethyl)-1-(3-methylphenyl)sulfonyl-N-piperidin-4-ylindol-4-amine
CID 126754773
1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-4-(piperazin-1-ylmethyl)indole;ethane
CID 144993589
4-[[1-(benzenesulfonyl)-4-(trifluoromethyl)indol-3-yl]sulfonylamino]piperidine-1-carboxylic acid
CID 69188275
4-(2-hydroxyanilino)piperidine-1-carboxylic acid
CID 22293852
1-[4-(2,3-dichloroanilino)piperidin-1-yl]ethanone
CID 43772128
4-[(2-propan-2-ylphenyl)sulfonylamino]piperidine-1-carboxylic acid
CID 69166315
1-[4-[2-(difluoromethylsulfonyl)anilino]piperidin-1-yl]-2-methylpropan-1-one
CID 133282595

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)indol-4-yl]amino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)indol-4-yl]amino]piperidine-1-carboxylic acid (CID 126740569) is 4-[[1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)indol-4-yl]amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)indol-4-yl]amino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)indol-4-yl]amino]piperidine-1-carboxylic acid is O=C(O)N1CCC(Nc2cccc3c2c(C(F)F)cn3S(=O)(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 4-[[1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)indol-4-yl]amino]piperidine-1-carboxylic acid?
The InChIKey is BZRVFYGXGBMKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClF2N3O4S/c22-15-4-1-2-7-18(15)32(30,31)27-12-14(20(23)24)19-16(5-3-6-17(19)27)25-13-8-10-26(11-9-13)21(28)29/h1-7,12-13,20,25H,8-11H2,(H,28,29).
What are the key properties of 4-[[1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)indol-4-yl]amino]piperidine-1-carboxylic acid?
4-[[1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)indol-4-yl]amino]piperidine-1-carboxylic acid has a molecular weight of 483.92 g/mol, XLogP of 5.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)indol-4-yl]amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 126740569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).