(3R)-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide

C27H28ClN3O6S2 — CID 100800649

IUPAC(3R)-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc4c(c3)N(S(=O)(=O)c3ccc(Cl)cc3)CC4)C2)cc1
InChIInChI=1S/C27H28ClN3O6S2/c1-37-23-8-12-24(13-9-23)38(33,34)30-15-2-3-20(18-30)27(32)29-22-7-4-19-14-16-31(26(19)17-22)39(35,36)25-10-5-21(28)6-11-25/h4-13,17,20H,2-3,14-16,18H2,1H3,(H,29,32)/t20-/m1/s1
InChIKeyPXBDUZAHNPMDHK-HXUWFJFHSA-N
MW590.12 g/mol
LogP4.14
Rot. Bonds7

About (3R)-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide

(3R)-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 100800649) has the molecular formula C27H28ClN3O6S2 and a molecular weight of 590.12 g/mol. Its IUPAC name is (3R)-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID100800649
Molecular FormulaC27H28ClN3O6S2
Molecular Weight590.12 g/mol
Exact Mass589.11
IUPAC Name(3R)-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc4c(c3)N(S(=O)(=O)c3ccc(Cl)cc3)CC4)C2)cc1
InChIInChI=1S/C27H28ClN3O6S2/c1-37-23-8-12-24(13-9-23)38(33,34)30-15-2-3-20(18-30)27(32)29-22-7-4-19-14-16-31(26(19)17-22)39(35,36)25-10-5-21(28)6-11-25/h4-13,17,20H,2-3,14-16,18H2,1H3,(H,29,32)/t20-/m1/s1
InChIKeyPXBDUZAHNPMDHK-HXUWFJFHSA-N
XLogP4.14
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500590.12
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide with MolForge

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Related Compounds

N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 133159790
(3R)-1-(4-bromophenyl)sulfonyl-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]piperidine-3-carboxamide
CID 100800483
(3S)-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 125050364
N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]cyclopentanecarboxamide
CID 16825810
(3S)-N-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 126380777
1-(4-bromophenyl)sulfonyl-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]piperidine-3-carboxamide
CID 133159547
N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 100799321
N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 100800082
(3S)-N-(4-acetamidophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 1081635
N-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 16862472
(3S)-1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide
CID 1081613
(3R)-1-(4-chlorophenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100673677

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide (CID 100800649) is (3R)-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide is COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc4c(c3)N(S(=O)(=O)c3ccc(Cl)cc3)CC4)C2)cc1.
What is the InChIKey of (3R)-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is PXBDUZAHNPMDHK-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H28ClN3O6S2/c1-37-23-8-12-24(13-9-23)38(33,34)30-15-2-3-20(18-30)27(32)29-22-7-4-19-14-16-31(26(19)17-22)39(35,36)25-10-5-21(28)6-11-25/h4-13,17,20H,2-3,14-16,18H2,1H3,(H,29,32)/t20-/m1/s1.
What are the key properties of (3R)-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
(3R)-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 590.12 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 100800649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).