N-[2-chloro-5-[(6-fluoro-1H-indol-3-yl)sulfonyl]phenyl]-1-methylpiperidin-4-amine

C20H21ClFN3O2S — CID 53303754

IUPACN-[2-chloro-5-[(6-fluoro-1H-indol-3-yl)sulfonyl]phenyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(Nc2cc(S(=O)(=O)c3c[nH]c4cc(F)ccc34)ccc2Cl)CC1
InChIInChI=1S/C20H21ClFN3O2S/c1-25-8-6-14(7-9-25)24-19-11-15(3-5-17(19)21)28(26,27)20-12-23-18-10-13(22)2-4-16(18)20/h2-5,10-12,14,23-24H,6-9H2,1H3
InChIKeyXUFJPUOLRTWHIU-UHFFFAOYSA-N
MW421.93 g/mol
LogP4.30
Rot. Bonds4

About N-[2-chloro-5-[(6-fluoro-1H-indol-3-yl)sulfonyl]phenyl]-1-methylpiperidin-4-amine

N-[2-chloro-5-[(6-fluoro-1H-indol-3-yl)sulfonyl]phenyl]-1-methylpiperidin-4-amine (PubChem CID 53303754) has the molecular formula C20H21ClFN3O2S and a molecular weight of 421.93 g/mol. Its IUPAC name is N-[2-chloro-5-[(6-fluoro-1H-indol-3-yl)sulfonyl]phenyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-chloro-5-[(6-fluoro-1H-indol-3-yl)sulfonyl]phenyl]-1-methylpiperidin-4-amine
PubChem CID53303754
Molecular FormulaC20H21ClFN3O2S
Molecular Weight421.93 g/mol
Exact Mass421.10
IUPAC NameN-[2-chloro-5-[(6-fluoro-1H-indol-3-yl)sulfonyl]phenyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(Nc2cc(S(=O)(=O)c3c[nH]c4cc(F)ccc34)ccc2Cl)CC1
InChIInChI=1S/C20H21ClFN3O2S/c1-25-8-6-14(7-9-25)24-19-11-15(3-5-17(19)21)28(26,27)20-12-23-18-10-13(22)2-4-16(18)20/h2-5,10-12,14,23-24H,6-9H2,1H3
InChIKeyXUFJPUOLRTWHIU-UHFFFAOYSA-N
XLogP4.30
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-fluoro-5-[[5-(trifluoromethyl)-1H-indol-3-yl]sulfonyl]phenyl]-1-methylpiperidin-4-amine
CID 53303855
N-(2-chloro-5-methylsulfonylphenyl)-1-methylazepan-4-amine
CID 65070213
N-[3-(1H-indol-3-ylsulfonyl)-2-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine
CID 53304167
N-(2-chloro-4-fluorophenyl)-1-methylazepan-4-amine
CID 65071350
N-[2,4-bis(methylsulfonyl)phenyl]-1-methylpiperidin-4-amine
CID 51074560
N-[5-(5-bromo-2-methoxyphenyl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine;hydrochloride
CID 53302892
2-chloro-N-cyclohexyl-5-methylsulfonylaniline
CID 43682135
N-[2-chloro-5-(6-methoxyindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine;hydrochloride
CID 71462619
6-chloro-N-(1-methylpiperidin-4-yl)-1H-indol-4-amine
CID 130361840
2-chloro-N-[(1-methylpiperidin-4-yl)methyl]-5-methylsulfonylaniline
CID 62655982
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylazepan-4-amine
CID 65070888
N-[3-[(3-bromo-5-fluoro-1H-indol-2-yl)sulfonyl]phenyl]-1-methylpiperidin-4-amine
CID 69120094

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[(6-fluoro-1H-indol-3-yl)sulfonyl]phenyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[2-chloro-5-[(6-fluoro-1H-indol-3-yl)sulfonyl]phenyl]-1-methylpiperidin-4-amine (CID 53303754) is N-[2-chloro-5-[(6-fluoro-1H-indol-3-yl)sulfonyl]phenyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[2-chloro-5-[(6-fluoro-1H-indol-3-yl)sulfonyl]phenyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[2-chloro-5-[(6-fluoro-1H-indol-3-yl)sulfonyl]phenyl]-1-methylpiperidin-4-amine is CN1CCC(Nc2cc(S(=O)(=O)c3c[nH]c4cc(F)ccc34)ccc2Cl)CC1.
What is the InChIKey of N-[2-chloro-5-[(6-fluoro-1H-indol-3-yl)sulfonyl]phenyl]-1-methylpiperidin-4-amine?
The InChIKey is XUFJPUOLRTWHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFN3O2S/c1-25-8-6-14(7-9-25)24-19-11-15(3-5-17(19)21)28(26,27)20-12-23-18-10-13(22)2-4-16(18)20/h2-5,10-12,14,23-24H,6-9H2,1H3.
What are the key properties of N-[2-chloro-5-[(6-fluoro-1H-indol-3-yl)sulfonyl]phenyl]-1-methylpiperidin-4-amine?
N-[2-chloro-5-[(6-fluoro-1H-indol-3-yl)sulfonyl]phenyl]-1-methylpiperidin-4-amine has a molecular weight of 421.93 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[(6-fluoro-1H-indol-3-yl)sulfonyl]phenyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 53303754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).