N-[2-chloro-5-(6-methoxyindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine;hydrochloride

C21H25Cl2N3O3S — CID 71462619

IUPACN-[2-chloro-5-(6-methoxyindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine;hydrochloride
SMILESCOc1ccc2ccn(S(=O)(=O)c3ccc(Cl)c(NC4CCN(C)CC4)c3)c2c1.Cl
InChIInChI=1S/C21H24ClN3O3S.ClH/c1-24-10-8-16(9-11-24)23-20-14-18(5-6-19(20)22)29(26,27)25-12-7-15-3-4-17(28-2)13-21(15)25;/h3-7,12-14,16,23H,8-11H2,1-2H3;1H
InChIKeyUMPRWWQSIJXEAA-UHFFFAOYSA-N
MW470.42 g/mol
LogP4.47
Rot. Bonds5

About N-[2-chloro-5-(6-methoxyindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine;hydrochloride

N-[2-chloro-5-(6-methoxyindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine;hydrochloride (PubChem CID 71462619) has the molecular formula C21H25Cl2N3O3S and a molecular weight of 470.42 g/mol. Its IUPAC name is N-[2-chloro-5-(6-methoxyindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-[2-chloro-5-(6-methoxyindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine;hydrochloride
PubChem CID71462619
Molecular FormulaC21H25Cl2N3O3S
Molecular Weight470.42 g/mol
Exact Mass469.10
IUPAC NameN-[2-chloro-5-(6-methoxyindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine;hydrochloride
SMILESCOc1ccc2ccn(S(=O)(=O)c3ccc(Cl)c(NC4CCN(C)CC4)c3)c2c1.Cl
InChIInChI=1S/C21H24ClN3O3S.ClH/c1-24-10-8-16(9-11-24)23-20-14-18(5-6-19(20)22)29(26,27)25-12-7-15-3-4-17(28-2)13-21(15)25;/h3-7,12-14,16,23H,8-11H2,1-2H3;1H
InChIKeyUMPRWWQSIJXEAA-UHFFFAOYSA-N
XLogP4.47
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.42
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(2R)-2-[2-[4-(4-chlorophenoxy)piperidin-1-yl]ethyl]pyrrolidin-1-yl]sulfonyl-1H-indole
CID 10028436
N-[5-(6-chloroindol-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine
CID 67341609
6-chloro-1-((4-methoxy-3-(piperazin-1-yl)phenyl)sulfonyl)-3-methyl-1H-indole
CID 118173772
5-chloro-1-((4-methoxy-3-(piperazin-1-yl)phenyl)sulfonyl)-3-methyl-1H-indole
CID 118173790
6-chloro-1-((4-methoxy-3-(piperazin-1-yl)phenyl)sulfonyl)-1H-indole
CID 118181460
4-(6-methoxy-1H-indol-1-ylsulfonyl)benzenamine
CID 44413495
N-[2-methoxy-5-(6-methoxy-3-methylindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine
CID 71450107
N-[5-(6-methoxyindol-1-yl)sulfonyl-2-methylphenyl]-1-methylpiperidin-4-amine;phosphoric acid
CID 71455475
N-[5-(5-chloro-3-methylindol-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine
CID 71457264
N-[5-(6-chloro-3-methylindol-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine
CID 71457265
N-[2-methoxy-5-(6-methoxyindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine;phosphoric acid
CID 71459111
N-[2-[1-(benzenesulfonyl)indol-4-yl]oxyethyl]-N'-[(4-chlorophenyl)methyl]ethane-1,2-diamine
CID 164619537

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(6-methoxyindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine;hydrochloride?
The IUPAC name of N-[2-chloro-5-(6-methoxyindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine;hydrochloride (CID 71462619) is N-[2-chloro-5-(6-methoxyindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for N-[2-chloro-5-(6-methoxyindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine;hydrochloride?
The canonical SMILES for N-[2-chloro-5-(6-methoxyindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine;hydrochloride is COc1ccc2ccn(S(=O)(=O)c3ccc(Cl)c(NC4CCN(C)CC4)c3)c2c1.Cl.
What is the InChIKey of N-[2-chloro-5-(6-methoxyindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine;hydrochloride?
The InChIKey is UMPRWWQSIJXEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O3S.ClH/c1-24-10-8-16(9-11-24)23-20-14-18(5-6-19(20)22)29(26,27)25-12-7-15-3-4-17(28-2)13-21(15)25;/h3-7,12-14,16,23H,8-11H2,1-2H3;1H.
What are the key properties of N-[2-chloro-5-(6-methoxyindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine;hydrochloride?
N-[2-chloro-5-(6-methoxyindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine;hydrochloride has a molecular weight of 470.42 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(6-methoxyindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 71462619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).