N-[4-(2-bromoindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine

C20H22BrN3O2S — CID 141165300

IUPACN-[4-(2-bromoindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(Nc2ccc(S(=O)(=O)n3c(Br)cc4ccccc43)cc2)CC1
InChIInChI=1S/C20H22BrN3O2S/c1-23-12-10-17(11-13-23)22-16-6-8-18(9-7-16)27(25,26)24-19-5-3-2-4-15(19)14-20(24)21/h2-9,14,17,22H,10-13H2,1H3
InChIKeyNDIASDITHHYHFR-UHFFFAOYSA-N
MW448.39 g/mol
LogP4.15
Rot. Bonds4

About N-[4-(2-bromoindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine

N-[4-(2-bromoindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine (PubChem CID 141165300) has the molecular formula C20H22BrN3O2S and a molecular weight of 448.39 g/mol. Its IUPAC name is N-[4-(2-bromoindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[4-(2-bromoindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine
PubChem CID141165300
Molecular FormulaC20H22BrN3O2S
Molecular Weight448.39 g/mol
Exact Mass447.06
IUPAC NameN-[4-(2-bromoindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(Nc2ccc(S(=O)(=O)n3c(Br)cc4ccccc43)cc2)CC1
InChIInChI=1S/C20H22BrN3O2S/c1-23-12-10-17(11-13-23)22-16-6-8-18(9-7-16)27(25,26)24-19-5-3-2-4-15(19)14-20(24)21/h2-9,14,17,22H,10-13H2,1H3
InChIKeyNDIASDITHHYHFR-UHFFFAOYSA-N
XLogP4.15
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.39
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(2-bromoindol-1-yl)sulfonylphenyl]-1-methylpiperidin-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

N-[3-(5-fluoroindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine
CID 15950371
N-(1-methylpiperidin-4-yl)quinolin-3-amine
CID 43691175
1-(2-bromophenyl)sulfonyl-2-[(4-methylpiperazin-1-yl)methyl]indole
CID 11305426
2-fluoro-1-(4-methylphenyl)sulfonylindole
CID 14921041
N-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidin-4-amine
CID 4521391
(3R)-1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidin-3-amine
CID 52872809
N-[4-bromo-3-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine
CID 43680385
1-methyl-3-[4-[(1-methylpiperidin-4-yl)amino]phenyl]urea
CID 43744340
N-[2,4-bis(methylsulfonyl)phenyl]-1-methylpiperidin-4-amine
CID 51074560
N-(2,4-dibromophenyl)-1-methylpiperidin-4-amine
CID 43683065
N-(3-chlorophenyl)-1-methylpiperidin-4-amine
CID 13336311
2-[1-[(2-bromophenyl)methyl]pyrrolidin-2-yl]-1-(4-methylphenyl)sulfonylindole
CID 122385808

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bromoindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[4-(2-bromoindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine (CID 141165300) is N-[4-(2-bromoindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[4-(2-bromoindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[4-(2-bromoindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine is CN1CCC(Nc2ccc(S(=O)(=O)n3c(Br)cc4ccccc43)cc2)CC1.
What is the InChIKey of N-[4-(2-bromoindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine?
The InChIKey is NDIASDITHHYHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN3O2S/c1-23-12-10-17(11-13-23)22-16-6-8-18(9-7-16)27(25,26)24-19-5-3-2-4-15(19)14-20(24)21/h2-9,14,17,22H,10-13H2,1H3.
What are the key properties of N-[4-(2-bromoindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine?
N-[4-(2-bromoindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine has a molecular weight of 448.39 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-bromoindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 141165300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).