6-chloro-N-methyl-N-[(3R)-2-oxo-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidin-3-yl]naphthalene-2-sulfonamide

C23H28ClN3O4S — CID 69331766

IUPAC6-chloro-N-methyl-N-[(3R)-2-oxo-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidin-3-yl]naphthalene-2-sulfonamide
SMILESCC(C(=O)N1CCCCC1)N1CC[C@@H](N(C)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
InChIInChI=1S/C23H28ClN3O4S/c1-16(22(28)26-11-4-3-5-12-26)27-13-10-21(23(27)29)25(2)32(30,31)20-9-7-17-14-19(24)8-6-18(17)15-20/h6-9,14-16,21H,3-5,10-13H2,1-2H3/t16?,21-/m1/s1
InChIKeyFZSKIUMTPMSWHZ-CAWMZFRYSA-N
MW478.01 g/mol
LogP3.12
Rot. Bonds5

About 6-chloro-N-methyl-N-[(3R)-2-oxo-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidin-3-yl]naphthalene-2-sulfonamide

6-chloro-N-methyl-N-[(3R)-2-oxo-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidin-3-yl]naphthalene-2-sulfonamide (PubChem CID 69331766) has the molecular formula C23H28ClN3O4S and a molecular weight of 478.01 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-[(3R)-2-oxo-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidin-3-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-methyl-N-[(3R)-2-oxo-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidin-3-yl]naphthalene-2-sulfonamide
PubChem CID69331766
Molecular FormulaC23H28ClN3O4S
Molecular Weight478.01 g/mol
Exact Mass477.15
IUPAC Name6-chloro-N-methyl-N-[(3R)-2-oxo-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidin-3-yl]naphthalene-2-sulfonamide
SMILESCC(C(=O)N1CCCCC1)N1CC[C@@H](N(C)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
InChIInChI=1S/C23H28ClN3O4S/c1-16(22(28)26-11-4-3-5-12-26)27-13-10-21(23(27)29)25(2)32(30,31)20-9-7-17-14-19(24)8-6-18(17)15-20/h6-9,14-16,21H,3-5,10-13H2,1-2H3/t16?,21-/m1/s1
InChIKeyFZSKIUMTPMSWHZ-CAWMZFRYSA-N
XLogP3.12
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.01
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-chloronaphthalen-2-yl)sulfonyl-[(3R)-2-oxo-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidin-3-yl]amino]acetic acid
CID 10279694
6-chloro-N-methyl-N-[(3R)-1-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 69330839
6-chloro-N-methyl-N-[(3R)-1-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 69329662
6-chloro-N-[(3S)-1-[(2R)-1-[2-(hydroxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]-N-methylnaphthalene-2-sulfonamide
CID 69329850
N-[1-[(2R)-2-[(3R)-3-[(6-chloronaphthalen-2-yl)sulfonyl-methylamino]-2-oxopyrrolidin-1-yl]propanoyl]piperidin-3-yl]benzamide
CID 10188847
N-[[1-[(2R)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonyl-methylamino]-2-oxopyrrolidin-1-yl]propanoyl]piperidin-2-yl]methyl]benzamide
CID 69329822
6-chloro-N-(cyanomethyl)-N-[1-(1-morpholin-4-yl-1-oxopropan-2-yl)-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 22017239
6-chloro-N-(furan-2-ylmethyl)-N-[1-(1-morpholin-4-yl-1-oxopropan-2-yl)-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 22017226
6-chloro-N-(furan-2-ylmethyl)-N-[1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 91500940
2-[(6-chloronaphthalen-2-yl)sulfonyl-[(3R)-1-[(2S)-1-(4-methyl-5-oxo-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]amino]acetamide
CID 10144418
6-chloro-N-methyl-N-[1-[(2R)-1-[(3S)-3-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-1-sulfonamide
CID 10117344
6-chloro-N-[2-(dimethylamino)ethyl]-N-[1-[(2S)-1-[7-[2-(dimethylamino)ethyl]-3,7-diazabicyclo[3.3.1]nonan-3-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 90744351

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-[(3R)-2-oxo-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidin-3-yl]naphthalene-2-sulfonamide?
The IUPAC name of 6-chloro-N-methyl-N-[(3R)-2-oxo-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidin-3-yl]naphthalene-2-sulfonamide (CID 69331766) is 6-chloro-N-methyl-N-[(3R)-2-oxo-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidin-3-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for 6-chloro-N-methyl-N-[(3R)-2-oxo-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidin-3-yl]naphthalene-2-sulfonamide?
The canonical SMILES for 6-chloro-N-methyl-N-[(3R)-2-oxo-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidin-3-yl]naphthalene-2-sulfonamide is CC(C(=O)N1CCCCC1)N1CC[C@@H](N(C)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O.
What is the InChIKey of 6-chloro-N-methyl-N-[(3R)-2-oxo-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidin-3-yl]naphthalene-2-sulfonamide?
The InChIKey is FZSKIUMTPMSWHZ-CAWMZFRYSA-N. The full InChI is InChI=1S/C23H28ClN3O4S/c1-16(22(28)26-11-4-3-5-12-26)27-13-10-21(23(27)29)25(2)32(30,31)20-9-7-17-14-19(24)8-6-18(17)15-20/h6-9,14-16,21H,3-5,10-13H2,1-2H3/t16?,21-/m1/s1.
What are the key properties of 6-chloro-N-methyl-N-[(3R)-2-oxo-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidin-3-yl]naphthalene-2-sulfonamide?
6-chloro-N-methyl-N-[(3R)-2-oxo-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidin-3-yl]naphthalene-2-sulfonamide has a molecular weight of 478.01 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-[(3R)-2-oxo-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidin-3-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 69331766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).