N-[5-(6-chloroindol-1-yl)sulfonyl-2-ethylphenyl]-1-methylpiperidin-4-amine

C22H26ClN3O2S — CID 71453739

IUPACN-[5-(6-chloroindol-1-yl)sulfonyl-2-ethylphenyl]-1-methylpiperidin-4-amine
SMILESCCc1ccc(S(=O)(=O)n2ccc3ccc(Cl)cc32)cc1NC1CCN(C)CC1
InChIInChI=1S/C22H26ClN3O2S/c1-3-16-5-7-20(15-21(16)24-19-9-11-25(2)12-10-19)29(27,28)26-13-8-17-4-6-18(23)14-22(17)26/h4-8,13-15,19,24H,3,9-12H2,1-2H3
InChIKeySBYIYEABEHQHQQ-UHFFFAOYSA-N
MW431.99 g/mol
LogP4.60
Rot. Bonds5

About N-[5-(6-chloroindol-1-yl)sulfonyl-2-ethylphenyl]-1-methylpiperidin-4-amine

N-[5-(6-chloroindol-1-yl)sulfonyl-2-ethylphenyl]-1-methylpiperidin-4-amine (PubChem CID 71453739) has the molecular formula C22H26ClN3O2S and a molecular weight of 431.99 g/mol. Its IUPAC name is N-[5-(6-chloroindol-1-yl)sulfonyl-2-ethylphenyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[5-(6-chloroindol-1-yl)sulfonyl-2-ethylphenyl]-1-methylpiperidin-4-amine
PubChem CID71453739
Molecular FormulaC22H26ClN3O2S
Molecular Weight431.99 g/mol
Exact Mass431.14
IUPAC NameN-[5-(6-chloroindol-1-yl)sulfonyl-2-ethylphenyl]-1-methylpiperidin-4-amine
SMILESCCc1ccc(S(=O)(=O)n2ccc3ccc(Cl)cc32)cc1NC1CCN(C)CC1
InChIInChI=1S/C22H26ClN3O2S/c1-3-16-5-7-20(15-21(16)24-19-9-11-25(2)12-10-19)29(27,28)26-13-8-17-4-6-18(23)14-22(17)26/h4-8,13-15,19,24H,3,9-12H2,1-2H3
InChIKeySBYIYEABEHQHQQ-UHFFFAOYSA-N
XLogP4.60
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.99
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-chloro-5-(6-methoxyindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine;hydrochloride
CID 71462619
N-[5-(5-chloro-3-methylindazol-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine
CID 71451886
N-[3-(5-fluoroindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine
CID 15950371
5-(6-chloroindol-1-yl)sulfonyl-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene;hydrochloride
CID 72837029
N-(2-chloro-5-methylsulfonylphenyl)-1-methylazepan-4-amine
CID 65070213
N-[2,4-bis(methylsulfonyl)phenyl]-1-methylpiperidin-4-amine
CID 51074560
N-(1-ethylpiperidin-4-yl)-1-(4-propan-2-ylphenyl)sulfonylindol-4-amine
CID 25222163
tert-butyl 4-[[1-(3-chlorophenyl)sulfonylindol-4-yl]amino]piperidine-1-carboxylate
CID 25221710
[5-chloro-2-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]amino]phenyl]methanol
CID 71068252
5-chloro-2-[[(1-methylpiperidin-4-yl)amino]methyl]phenol
CID 118140383
1-(4-chlorophenyl)sulfonyl-6,7,8,9-tetrahydro-5H-pyrrolo[3,2-h][3]benzazepine
CID 44579130
3-chloro-4-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887439

Frequently Asked Questions

What is the IUPAC name of N-[5-(6-chloroindol-1-yl)sulfonyl-2-ethylphenyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[5-(6-chloroindol-1-yl)sulfonyl-2-ethylphenyl]-1-methylpiperidin-4-amine (CID 71453739) is N-[5-(6-chloroindol-1-yl)sulfonyl-2-ethylphenyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[5-(6-chloroindol-1-yl)sulfonyl-2-ethylphenyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[5-(6-chloroindol-1-yl)sulfonyl-2-ethylphenyl]-1-methylpiperidin-4-amine is CCc1ccc(S(=O)(=O)n2ccc3ccc(Cl)cc32)cc1NC1CCN(C)CC1.
What is the InChIKey of N-[5-(6-chloroindol-1-yl)sulfonyl-2-ethylphenyl]-1-methylpiperidin-4-amine?
The InChIKey is SBYIYEABEHQHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2S/c1-3-16-5-7-20(15-21(16)24-19-9-11-25(2)12-10-19)29(27,28)26-13-8-17-4-6-18(23)14-22(17)26/h4-8,13-15,19,24H,3,9-12H2,1-2H3.
What are the key properties of N-[5-(6-chloroindol-1-yl)sulfonyl-2-ethylphenyl]-1-methylpiperidin-4-amine?
N-[5-(6-chloroindol-1-yl)sulfonyl-2-ethylphenyl]-1-methylpiperidin-4-amine has a molecular weight of 431.99 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-chloroindol-1-yl)sulfonyl-2-ethylphenyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 71453739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).