6-[(2R)-2-[2-[4-(4-chlorophenoxy)piperidin-1-yl]ethyl]pyrrolidin-1-yl]sulfonyl-1H-indole;hydrochloride

C25H31Cl2N3O3S — CID 10392062

IUPAC6-[(2R)-2-[2-[4-(4-chlorophenoxy)piperidin-1-yl]ethyl]pyrrolidin-1-yl]sulfonyl-1H-indole;hydrochloride
SMILESCl.O=S(=O)(c1ccc2cc[nH]c2c1)N1CCC[C@@H]1CCN1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C25H30ClN3O3S.ClH/c26-20-4-6-22(7-5-20)32-23-11-16-28(17-12-23)15-10-21-2-1-14-29(21)33(30,31)24-8-3-19-9-13-27-25(19)18-24;/h3-9,13,18,21,23,27H,1-2,10-12,14-17H2;1H/t21-;/m1./s1
InChIKeyYLOCZVSUCUQNNK-ZMBIFBSDSA-N
MW524.51 g/mol
LogP5.33
Rot. Bonds7

About 6-[(2R)-2-[2-[4-(4-chlorophenoxy)piperidin-1-yl]ethyl]pyrrolidin-1-yl]sulfonyl-1H-indole;hydrochloride

6-[(2R)-2-[2-[4-(4-chlorophenoxy)piperidin-1-yl]ethyl]pyrrolidin-1-yl]sulfonyl-1H-indole;hydrochloride (PubChem CID 10392062) has the molecular formula C25H31Cl2N3O3S and a molecular weight of 524.51 g/mol. Its IUPAC name is 6-[(2R)-2-[2-[4-(4-chlorophenoxy)piperidin-1-yl]ethyl]pyrrolidin-1-yl]sulfonyl-1H-indole;hydrochloride.

Molecular Properties

Compound Name6-[(2R)-2-[2-[4-(4-chlorophenoxy)piperidin-1-yl]ethyl]pyrrolidin-1-yl]sulfonyl-1H-indole;hydrochloride
PubChem CID10392062
Molecular FormulaC25H31Cl2N3O3S
Molecular Weight524.51 g/mol
Exact Mass523.15
IUPAC Name6-[(2R)-2-[2-[4-(4-chlorophenoxy)piperidin-1-yl]ethyl]pyrrolidin-1-yl]sulfonyl-1H-indole;hydrochloride
SMILESCl.O=S(=O)(c1ccc2cc[nH]c2c1)N1CCC[C@@H]1CCN1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C25H30ClN3O3S.ClH/c26-20-4-6-22(7-5-20)32-23-11-16-28(17-12-23)15-10-21-2-1-14-29(21)33(30,31)24-8-3-19-9-13-27-25(19)18-24;/h3-9,13,18,21,23,27H,1-2,10-12,14-17H2;1H/t21-;/m1./s1
InChIKeyYLOCZVSUCUQNNK-ZMBIFBSDSA-N
XLogP5.33
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.51
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[(2R)-2-[2-[4-(4-chlorophenoxy)piperidin-1-yl]ethyl]pyrrolidin-1-yl]sulfonyl-1H-indole;hydrochloride with MolForge

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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
6-[(2R)-2-[2-[4-(4-fluorophenoxy)piperidin-1-yl]ethyl]pyrrolidin-1-yl]sulfonyl-1H-indole
CID 44340836
N-[5-(6-chloroindol-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine
CID 67341609
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-[5-(5-chloroindol-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine
CID 16113559
5-chloro-2-methoxy-N-[3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide
CID 11476019
N-[2-chloro-5-(6-methoxyindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine;hydrochloride
CID 71462619
6-[(2S)-2-[2-[4-(4-chlorophenoxy)piperidin-1-yl]ethyl]pyrrolidin-1-yl]sulfonyl-1H-indole
CID 155542678
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-methoxybenzenesulfonamide
CID 3161289
5-Chloro-3-methyl-1-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]indole
CID 68053714
5-Chloro-1-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]-3-methylindole
CID 68053715

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-[2-[4-(4-chlorophenoxy)piperidin-1-yl]ethyl]pyrrolidin-1-yl]sulfonyl-1H-indole;hydrochloride?
The IUPAC name of 6-[(2R)-2-[2-[4-(4-chlorophenoxy)piperidin-1-yl]ethyl]pyrrolidin-1-yl]sulfonyl-1H-indole;hydrochloride (CID 10392062) is 6-[(2R)-2-[2-[4-(4-chlorophenoxy)piperidin-1-yl]ethyl]pyrrolidin-1-yl]sulfonyl-1H-indole;hydrochloride.
What is the SMILES notation for 6-[(2R)-2-[2-[4-(4-chlorophenoxy)piperidin-1-yl]ethyl]pyrrolidin-1-yl]sulfonyl-1H-indole;hydrochloride?
The canonical SMILES for 6-[(2R)-2-[2-[4-(4-chlorophenoxy)piperidin-1-yl]ethyl]pyrrolidin-1-yl]sulfonyl-1H-indole;hydrochloride is Cl.O=S(=O)(c1ccc2cc[nH]c2c1)N1CCC[C@@H]1CCN1CCC(Oc2ccc(Cl)cc2)CC1.
What is the InChIKey of 6-[(2R)-2-[2-[4-(4-chlorophenoxy)piperidin-1-yl]ethyl]pyrrolidin-1-yl]sulfonyl-1H-indole;hydrochloride?
The InChIKey is YLOCZVSUCUQNNK-ZMBIFBSDSA-N. The full InChI is InChI=1S/C25H30ClN3O3S.ClH/c26-20-4-6-22(7-5-20)32-23-11-16-28(17-12-23)15-10-21-2-1-14-29(21)33(30,31)24-8-3-19-9-13-27-25(19)18-24;/h3-9,13,18,21,23,27H,1-2,10-12,14-17H2;1H/t21-;/m1./s1.
What are the key properties of 6-[(2R)-2-[2-[4-(4-chlorophenoxy)piperidin-1-yl]ethyl]pyrrolidin-1-yl]sulfonyl-1H-indole;hydrochloride?
6-[(2R)-2-[2-[4-(4-chlorophenoxy)piperidin-1-yl]ethyl]pyrrolidin-1-yl]sulfonyl-1H-indole;hydrochloride has a molecular weight of 524.51 g/mol, XLogP of 5.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-[2-[4-(4-chlorophenoxy)piperidin-1-yl]ethyl]pyrrolidin-1-yl]sulfonyl-1H-indole;hydrochloride is sourced from PubChem (CID 10392062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).