N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide

C30H28ClN3O5S2 — CID 133159790

IUPACN-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)CC2)C1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C30H28ClN3O5S2/c31-25-9-13-27(14-10-25)41(38,39)34-17-15-22-7-11-26(19-29(22)34)32-30(35)24-6-3-16-33(20-24)40(36,37)28-12-8-21-4-1-2-5-23(21)18-28/h1-2,4-5,7-14,18-19,24H,3,6,15-17,20H2,(H,32,35)
InChIKeyPBLNMFBTNTYXAP-UHFFFAOYSA-N
MW610.16 g/mol
LogP5.28
Rot. Bonds6

About N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide

N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 133159790) has the molecular formula C30H28ClN3O5S2 and a molecular weight of 610.16 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID133159790
Molecular FormulaC30H28ClN3O5S2
Molecular Weight610.16 g/mol
Exact Mass609.12
IUPAC NameN-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)CC2)C1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C30H28ClN3O5S2/c31-25-9-13-27(14-10-25)41(38,39)34-17-15-22-7-11-26(19-29(22)34)32-30(35)24-6-3-16-33(20-24)40(36,37)28-12-8-21-4-1-2-5-23(21)18-28/h1-2,4-5,7-14,18-19,24H,3,6,15-17,20H2,(H,32,35)
InChIKeyPBLNMFBTNTYXAP-UHFFFAOYSA-N
XLogP5.28
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.16
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 100800649
(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-[4-fluoro-3-(trifluoromethyl)phenyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 43872886
N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 100799321
N-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 16862472
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 27151827
1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 16862471
(3R)-1-(4-chlorophenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100673677
(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 100673660
(3R)-1-(4-chlorophenyl)sulfonyl-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100673047
N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 100800082

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide (CID 133159790) is N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide is O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)CC2)C1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1.
What is the InChIKey of N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is PBLNMFBTNTYXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28ClN3O5S2/c31-25-9-13-27(14-10-25)41(38,39)34-17-15-22-7-11-26(19-29(22)34)32-30(35)24-6-3-16-33(20-24)40(36,37)28-12-8-21-4-1-2-5-23(21)18-28/h1-2,4-5,7-14,18-19,24H,3,6,15-17,20H2,(H,32,35).
What are the key properties of N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide?
N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 610.16 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 133159790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).