6-chloro-N-[(3S)-1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide

C26H27ClN4O6S — CID 59056647

IUPAC6-chloro-N-[(3S)-1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide
SMILESO=C(CN1CCC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C26H27ClN4O6S/c27-20-7-5-19-16-21(8-6-18(19)15-20)38(35,36)28-22-3-1-9-31(25(22)33)17-24(32)29-10-12-30(13-11-29)26(34)23-4-2-14-37-23/h2,4-8,14-16,22,28H,1,3,9-13,17H2/t22-/m0/s1
InChIKeyRGDRZQNMNQIEEP-QFIPXVFZSA-N
MW559.04 g/mol
LogP2.34
Rot. Bonds6

About 6-chloro-N-[(3S)-1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide

6-chloro-N-[(3S)-1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide (PubChem CID 59056647) has the molecular formula C26H27ClN4O6S and a molecular weight of 559.04 g/mol. Its IUPAC name is 6-chloro-N-[(3S)-1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[(3S)-1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide
PubChem CID59056647
Molecular FormulaC26H27ClN4O6S
Molecular Weight559.04 g/mol
Exact Mass558.13
IUPAC Name6-chloro-N-[(3S)-1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide
SMILESO=C(CN1CCC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C26H27ClN4O6S/c27-20-7-5-19-16-21(8-6-18(19)15-20)38(35,36)28-22-3-1-9-31(25(22)33)17-24(32)29-10-12-30(13-11-29)26(34)23-4-2-14-37-23/h2,4-8,14-16,22,28H,1,3,9-13,17H2/t22-/m0/s1
InChIKeyRGDRZQNMNQIEEP-QFIPXVFZSA-N
XLogP2.34
TPSA120.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.04
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-N-[(3S)-1-[2-[7-[2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]acetyl]-3,7-diazabicyclo[3.3.1]nonan-3-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide
CID 59056587
6-chloro-N-[2-oxo-1-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide
CID 20581375
6-chloro-N-[2-oxo-1-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide
CID 20581417
6-chloro-N-[2-oxo-1-[2-oxo-2-(3-pyridin-2-ylpyrrolidin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide
CID 20581407
6-chloro-N-[2-oxo-1-(2-oxo-2-piperidin-1-ylethyl)piperidin-3-yl]-1-benzothiophene-2-sulfonamide
CID 20581390
2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 20580879
4-bromo-N-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]benzenesulfonamide
CID 20581126
6-chloro-N-[2-oxo-1-(2-oxo-2-thiomorpholin-4-ylethyl)piperidin-3-yl]-1-benzothiophene-2-sulfonamide
CID 20581433
6-chloro-N-[(3S)-1-[2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]-1-benzothiophene-2-sulfonamide
CID 59056311
N-[1-[[(2S)-1-[2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]pyrrolidin-3-yl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide
CID 71228551
N-[1-[[(2S)-1-[2-[(3S)-3-[(7-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]pyrrolidin-3-yl]-N-methyl-2-methylsulfonylacetamide
CID 59056562
N-[1-[(3-cyanophenyl)methyl]-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide
CID 54070623

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3S)-1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide?
The IUPAC name of 6-chloro-N-[(3S)-1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide (CID 59056647) is 6-chloro-N-[(3S)-1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for 6-chloro-N-[(3S)-1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide?
The canonical SMILES for 6-chloro-N-[(3S)-1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide is O=C(CN1CCC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 6-chloro-N-[(3S)-1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide?
The InChIKey is RGDRZQNMNQIEEP-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H27ClN4O6S/c27-20-7-5-19-16-21(8-6-18(19)15-20)38(35,36)28-22-3-1-9-31(25(22)33)17-24(32)29-10-12-30(13-11-29)26(34)23-4-2-14-37-23/h2,4-8,14-16,22,28H,1,3,9-13,17H2/t22-/m0/s1.
What are the key properties of 6-chloro-N-[(3S)-1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide?
6-chloro-N-[(3S)-1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide has a molecular weight of 559.04 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3S)-1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 59056647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).