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

C28H30ClN3O6S2 — CID 100800082

IUPACN-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)N(S(=O)(=O)c3ccc(Cl)cc3)CC4)CC2)cc1C
InChIInChI=1S/C28H30ClN3O6S2/c1-19-17-25(9-10-27(19)38-2)39(34,35)31-14-11-21(12-15-31)28(33)30-23-6-3-20-13-16-32(26(20)18-23)40(36,37)24-7-4-22(29)5-8-24/h3-10,17-18,21H,11-16H2,1-2H3,(H,30,33)
InChIKeyBCAUXGITSCNPNO-UHFFFAOYSA-N
MW604.15 g/mol
LogP4.45
Rot. Bonds7

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

N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 100800082) has the molecular formula C28H30ClN3O6S2 and a molecular weight of 604.15 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID100800082
Molecular FormulaC28H30ClN3O6S2
Molecular Weight604.15 g/mol
Exact Mass603.13
IUPAC NameN-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)N(S(=O)(=O)c3ccc(Cl)cc3)CC4)CC2)cc1C
InChIInChI=1S/C28H30ClN3O6S2/c1-19-17-25(9-10-27(19)38-2)39(34,35)31-14-11-21(12-15-31)28(33)30-23-6-3-20-13-16-32(26(20)18-23)40(36,37)24-7-4-22(29)5-8-24/h3-10,17-18,21H,11-16H2,1-2H3,(H,30,33)
InChIKeyBCAUXGITSCNPNO-UHFFFAOYSA-N
XLogP4.45
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500604.15
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 100799321
N-(3-chloro-4-fluorophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 4016678
N-(3,4-difluorophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 28549818
(3S)-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 125050364
(3R)-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 100800649
N-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1088320
(3S)-N-(4-chlorophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 41302313
N-(2-chlorophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 1092875
1-(3,4-dimethoxyphenyl)sulfonyl-N-(3,4-dimethylphenyl)piperidine-4-carboxamide
CID 1088318
(3R)-1-(4-bromophenyl)sulfonyl-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]piperidine-3-carboxamide
CID 100800483
N-(3-chloro-4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1075521
(3S)-N-(3-chloro-4-methoxyphenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 41302602

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 100800082) is N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide is COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)N(S(=O)(=O)c3ccc(Cl)cc3)CC4)CC2)cc1C.
What is the InChIKey of N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is BCAUXGITSCNPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClN3O6S2/c1-19-17-25(9-10-27(19)38-2)39(34,35)31-14-11-21(12-15-31)28(33)30-23-6-3-20-13-16-32(26(20)18-23)40(36,37)24-7-4-22(29)5-8-24/h3-10,17-18,21H,11-16H2,1-2H3,(H,30,33).
What are the key properties of N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide?
N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 604.15 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 100800082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).