methyl N-[4-[1-[2-(6-chloroindol-1-yl)acetyl]piperidin-4-yl]phenyl]sulfonylcarbamate;molecular hydrogen

C23H26ClN3O5S — CID 159692435

IUPACmethyl N-[4-[1-[2-(6-chloroindol-1-yl)acetyl]piperidin-4-yl]phenyl]sulfonylcarbamate;molecular hydrogen
SMILESCOC(=O)NS(=O)(=O)c1ccc(C2CCN(C(=O)Cn3ccc4ccc(Cl)cc43)CC2)cc1.[H][H]
InChIInChI=1S/C23H24ClN3O5S.H2/c1-32-23(29)25-33(30,31)20-6-3-16(4-7-20)17-8-11-26(12-9-17)22(28)15-27-13-10-18-2-5-19(24)14-21(18)27;/h2-7,10,13-14,17H,8-9,11-12,15H2,1H3,(H,25,29);1H
InChIKeyMWOVOJBXPHVZOU-UHFFFAOYSA-N
MW492.00 g/mol
LogP3.99
Rot. Bonds5

About methyl N-[4-[1-[2-(6-chloroindol-1-yl)acetyl]piperidin-4-yl]phenyl]sulfonylcarbamate;molecular hydrogen

methyl N-[4-[1-[2-(6-chloroindol-1-yl)acetyl]piperidin-4-yl]phenyl]sulfonylcarbamate;molecular hydrogen (PubChem CID 159692435) has the molecular formula C23H26ClN3O5S and a molecular weight of 492.00 g/mol. Its IUPAC name is methyl N-[4-[1-[2-(6-chloroindol-1-yl)acetyl]piperidin-4-yl]phenyl]sulfonylcarbamate;molecular hydrogen.

Molecular Properties

Compound Namemethyl N-[4-[1-[2-(6-chloroindol-1-yl)acetyl]piperidin-4-yl]phenyl]sulfonylcarbamate;molecular hydrogen
PubChem CID159692435
Molecular FormulaC23H26ClN3O5S
Molecular Weight492.00 g/mol
Exact Mass491.13
IUPAC Namemethyl N-[4-[1-[2-(6-chloroindol-1-yl)acetyl]piperidin-4-yl]phenyl]sulfonylcarbamate;molecular hydrogen
SMILESCOC(=O)NS(=O)(=O)c1ccc(C2CCN(C(=O)Cn3ccc4ccc(Cl)cc43)CC2)cc1.[H][H]
InChIInChI=1S/C23H24ClN3O5S.H2/c1-32-23(29)25-33(30,31)20-6-3-16(4-7-20)17-8-11-26(12-9-17)22(28)15-27-13-10-18-2-5-19(24)14-21(18)27;/h2-7,10,13-14,17H,8-9,11-12,15H2,1H3,(H,25,29);1H
InChIKeyMWOVOJBXPHVZOU-UHFFFAOYSA-N
XLogP3.99
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.00
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(6-chloroindol-1-yl)acetyl]-N-cyclopropylpiperidine-4-carboxamide
CID 71887294
2-(6-chloroindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 39036168
4-[4-[2-(6-chloroindol-1-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen
CID 159158457
(3R)-1-[2-(6-chloroindol-1-yl)acetyl]pyrrolidine-3-carboxamide
CID 94467337
methyl N-[4-[[(2S)-2-(6-chloroindol-1-yl)propanoyl]amino]phenyl]sulfonylcarbamate
CID 25117821
4-[1-[2-(5-chloropyrrolo[2,3-b]pyridin-1-yl)acetyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-piperidin-4-yl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 162241839
methyl N-[4-[[2-(5-chloro-3-methylindol-1-yl)acetyl]amino]phenyl]sulfonylcarbamate;molecular hydrogen
CID 158590328
(3S)-1-[2-(6-chloroindol-1-yl)acetyl]-3-hydroxypiperidine-3-carboxamide
CID 129485947
2-(6-chloroindol-1-yl)-1-cyclopentylethanone
CID 104751262
2-(6-chloroindol-1-yl)-N-cyclopentylacetamide
CID 39339466
6-chloro-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]quinolin-4-one
CID 100735436
methyl N-[4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]phenyl]sulfonylcarbamate;molecular hydrogen
CID 157382543

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[1-[2-(6-chloroindol-1-yl)acetyl]piperidin-4-yl]phenyl]sulfonylcarbamate;molecular hydrogen?
The IUPAC name of methyl N-[4-[1-[2-(6-chloroindol-1-yl)acetyl]piperidin-4-yl]phenyl]sulfonylcarbamate;molecular hydrogen (CID 159692435) is methyl N-[4-[1-[2-(6-chloroindol-1-yl)acetyl]piperidin-4-yl]phenyl]sulfonylcarbamate;molecular hydrogen.
What is the SMILES notation for methyl N-[4-[1-[2-(6-chloroindol-1-yl)acetyl]piperidin-4-yl]phenyl]sulfonylcarbamate;molecular hydrogen?
The canonical SMILES for methyl N-[4-[1-[2-(6-chloroindol-1-yl)acetyl]piperidin-4-yl]phenyl]sulfonylcarbamate;molecular hydrogen is COC(=O)NS(=O)(=O)c1ccc(C2CCN(C(=O)Cn3ccc4ccc(Cl)cc43)CC2)cc1.[H][H].
What is the InChIKey of methyl N-[4-[1-[2-(6-chloroindol-1-yl)acetyl]piperidin-4-yl]phenyl]sulfonylcarbamate;molecular hydrogen?
The InChIKey is MWOVOJBXPHVZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O5S.H2/c1-32-23(29)25-33(30,31)20-6-3-16(4-7-20)17-8-11-26(12-9-17)22(28)15-27-13-10-18-2-5-19(24)14-21(18)27;/h2-7,10,13-14,17H,8-9,11-12,15H2,1H3,(H,25,29);1H.
What are the key properties of methyl N-[4-[1-[2-(6-chloroindol-1-yl)acetyl]piperidin-4-yl]phenyl]sulfonylcarbamate;molecular hydrogen?
methyl N-[4-[1-[2-(6-chloroindol-1-yl)acetyl]piperidin-4-yl]phenyl]sulfonylcarbamate;molecular hydrogen has a molecular weight of 492.00 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[1-[2-(6-chloroindol-1-yl)acetyl]piperidin-4-yl]phenyl]sulfonylcarbamate;molecular hydrogen is sourced from PubChem (CID 159692435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).