1-[3-(3-bromophenyl)prop-2-enylsulfonyl]-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine

C23H24BrF2N3O2S — CID 174792385

IUPAC1-[3-(3-bromophenyl)prop-2-enylsulfonyl]-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine
SMILESO=S(=O)(CC=Cc1cccc(Br)c1)n1cc(C(F)F)c2c(NC3CCNCC3)cccc21
InChIInChI=1S/C23H24BrF2N3O2S/c24-17-6-1-4-16(14-17)5-3-13-32(30,31)29-15-19(23(25)26)22-20(7-2-8-21(22)29)28-18-9-11-27-12-10-18/h1-8,14-15,18,23,27-28H,9-13H2
InChIKeyMTUDWVXSNCIWSX-UHFFFAOYSA-N
MW524.43 g/mol
LogP5.40
Rot. Bonds7

About 1-[3-(3-bromophenyl)prop-2-enylsulfonyl]-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine

1-[3-(3-bromophenyl)prop-2-enylsulfonyl]-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine (PubChem CID 174792385) has the molecular formula C23H24BrF2N3O2S and a molecular weight of 524.43 g/mol. Its IUPAC name is 1-[3-(3-bromophenyl)prop-2-enylsulfonyl]-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine.

Molecular Properties

Compound Name1-[3-(3-bromophenyl)prop-2-enylsulfonyl]-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine
PubChem CID174792385
Molecular FormulaC23H24BrF2N3O2S
Molecular Weight524.43 g/mol
Exact Mass523.07
IUPAC Name1-[3-(3-bromophenyl)prop-2-enylsulfonyl]-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine
SMILESO=S(=O)(CC=Cc1cccc(Br)c1)n1cc(C(F)F)c2c(NC3CCNCC3)cccc21
InChIInChI=1S/C23H24BrF2N3O2S/c24-17-6-1-4-16(14-17)5-3-13-32(30,31)29-15-19(23(25)26)22-20(7-2-8-21(22)29)28-18-9-11-27-12-10-18/h1-8,14-15,18,23,27-28H,9-13H2
InChIKeyMTUDWVXSNCIWSX-UHFFFAOYSA-N
XLogP5.40
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.43
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[3-(3-bromophenyl)prop-2-enylsulfonyl]-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine 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

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-(4-chlorophenyl)sulfonyl-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine
CID 118654347
tert-butyl 4-[[1-(3-bromophenyl)sulfonyl-3-(difluoromethyl)indol-4-yl]amino]piperidine-1-carboxylate
CID 118648101
4-[[1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)indol-4-yl]amino]piperidine-1-carboxylic acid
CID 126740569
4-[[3-(difluoromethyl)-1-(4-methoxyphenyl)sulfonylindol-4-yl]amino]piperidine-1-carboxylic acid
CID 126740556
tert-butyl 4-[[1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)indol-4-yl]amino]piperidine-1-carboxylate
CID 126740503
N-(4-bromo-2-fluorophenyl)piperidin-4-amine
CID 61016241
N-(azepan-4-yl)-3-bromobenzenesulfonamide
CID 107172896
N-[5-bromo-2-(trifluoromethyl)phenyl]piperidin-4-amine
CID 107286818
N-(4-bromo-2-fluorophenyl)azepan-4-amine
CID 103980423
4-(3-bromophenyl)but-3-ene-1-thiol
CID 170479347

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-bromophenyl)prop-2-enylsulfonyl]-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine?
The IUPAC name of 1-[3-(3-bromophenyl)prop-2-enylsulfonyl]-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine (CID 174792385) is 1-[3-(3-bromophenyl)prop-2-enylsulfonyl]-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine.
What is the SMILES notation for 1-[3-(3-bromophenyl)prop-2-enylsulfonyl]-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine?
The canonical SMILES for 1-[3-(3-bromophenyl)prop-2-enylsulfonyl]-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine is O=S(=O)(CC=Cc1cccc(Br)c1)n1cc(C(F)F)c2c(NC3CCNCC3)cccc21.
What is the InChIKey of 1-[3-(3-bromophenyl)prop-2-enylsulfonyl]-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine?
The InChIKey is MTUDWVXSNCIWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrF2N3O2S/c24-17-6-1-4-16(14-17)5-3-13-32(30,31)29-15-19(23(25)26)22-20(7-2-8-21(22)29)28-18-9-11-27-12-10-18/h1-8,14-15,18,23,27-28H,9-13H2.
What are the key properties of 1-[3-(3-bromophenyl)prop-2-enylsulfonyl]-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine?
1-[3-(3-bromophenyl)prop-2-enylsulfonyl]-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine has a molecular weight of 524.43 g/mol, XLogP of 5.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-bromophenyl)prop-2-enylsulfonyl]-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine is sourced from PubChem (CID 174792385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).