6-chloro-N-[(3S)-1-[(2S)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide

C22H26ClN3O5S — CID 69329929

IUPAC6-chloro-N-[(3S)-1-[(2S)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
SMILESC[C@@H](C(=O)N1CCC(O)CC1)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
InChIInChI=1S/C22H26ClN3O5S/c1-14(21(28)25-9-6-18(27)7-10-25)26-11-8-20(22(26)29)24-32(30,31)19-5-3-15-12-17(23)4-2-16(15)13-19/h2-5,12-14,18,20,24,27H,6-11H2,1H3/t14-,20-/m0/s1
InChIKeyZCEDHGZAOPDGFB-XOBRGWDASA-N
MW479.99 g/mol
LogP1.74
Rot. Bonds5

About 6-chloro-N-[(3S)-1-[(2S)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide

6-chloro-N-[(3S)-1-[(2S)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide (PubChem CID 69329929) has the molecular formula C22H26ClN3O5S and a molecular weight of 479.99 g/mol. Its IUPAC name is 6-chloro-N-[(3S)-1-[(2S)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[(3S)-1-[(2S)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
PubChem CID69329929
Molecular FormulaC22H26ClN3O5S
Molecular Weight479.99 g/mol
Exact Mass479.13
IUPAC Name6-chloro-N-[(3S)-1-[(2S)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
SMILESC[C@@H](C(=O)N1CCC(O)CC1)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
InChIInChI=1S/C22H26ClN3O5S/c1-14(21(28)25-9-6-18(27)7-10-25)26-11-8-20(22(26)29)24-32(30,31)19-5-3-15-12-17(23)4-2-16(15)13-19/h2-5,12-14,18,20,24,27H,6-11H2,1H3/t14-,20-/m0/s1
InChIKeyZCEDHGZAOPDGFB-XOBRGWDASA-N
XLogP1.74
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.99
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3S)-1-[(2S)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide?
The IUPAC name of 6-chloro-N-[(3S)-1-[(2S)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide (CID 69329929) is 6-chloro-N-[(3S)-1-[(2S)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for 6-chloro-N-[(3S)-1-[(2S)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide?
The canonical SMILES for 6-chloro-N-[(3S)-1-[(2S)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide is C[C@@H](C(=O)N1CCC(O)CC1)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O.
What is the InChIKey of 6-chloro-N-[(3S)-1-[(2S)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide?
The InChIKey is ZCEDHGZAOPDGFB-XOBRGWDASA-N. The full InChI is InChI=1S/C22H26ClN3O5S/c1-14(21(28)25-9-6-18(27)7-10-25)26-11-8-20(22(26)29)24-32(30,31)19-5-3-15-12-17(23)4-2-16(15)13-19/h2-5,12-14,18,20,24,27H,6-11H2,1H3/t14-,20-/m0/s1.
What are the key properties of 6-chloro-N-[(3S)-1-[(2S)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide?
6-chloro-N-[(3S)-1-[(2S)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide has a molecular weight of 479.99 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3S)-1-[(2S)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 69329929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).