6-chloro-N-[2-oxo-1-[4-(2-oxo-1-pyridinyl)phenyl]piperidin-3-yl]-N-(pyridin-2-ylmethyl)naphthalene-2-sulfonamide

C32H27ClN4O4S — CID 10326225

IUPAC6-chloro-N-[2-oxo-1-[4-(2-oxo-1-pyridinyl)phenyl]piperidin-3-yl]-N-(pyridin-2-ylmethyl)naphthalene-2-sulfonamide
SMILESO=C1C(N(Cc2ccccn2)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCCN1c1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C32H27ClN4O4S/c33-25-11-9-24-21-29(16-10-23(24)20-25)42(40,41)37(22-26-6-1-3-17-34-26)30-7-5-19-36(32(30)39)28-14-12-27(13-15-28)35-18-4-2-8-31(35)38/h1-4,6,8-18,20-21,30H,5,7,19,22H2
InChIKeyQHVRBNVLDUJZJE-UHFFFAOYSA-N
MW599.11 g/mol
LogP5.43
Rot. Bonds7

About 6-chloro-N-[2-oxo-1-[4-(2-oxo-1-pyridinyl)phenyl]piperidin-3-yl]-N-(pyridin-2-ylmethyl)naphthalene-2-sulfonamide

6-chloro-N-[2-oxo-1-[4-(2-oxo-1-pyridinyl)phenyl]piperidin-3-yl]-N-(pyridin-2-ylmethyl)naphthalene-2-sulfonamide (PubChem CID 10326225) has the molecular formula C32H27ClN4O4S and a molecular weight of 599.11 g/mol. Its IUPAC name is 6-chloro-N-[2-oxo-1-[4-(2-oxo-1-pyridinyl)phenyl]piperidin-3-yl]-N-(pyridin-2-ylmethyl)naphthalene-2-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[2-oxo-1-[4-(2-oxo-1-pyridinyl)phenyl]piperidin-3-yl]-N-(pyridin-2-ylmethyl)naphthalene-2-sulfonamide
PubChem CID10326225
Molecular FormulaC32H27ClN4O4S
Molecular Weight599.11 g/mol
Exact Mass598.14
IUPAC Name6-chloro-N-[2-oxo-1-[4-(2-oxo-1-pyridinyl)phenyl]piperidin-3-yl]-N-(pyridin-2-ylmethyl)naphthalene-2-sulfonamide
SMILESO=C1C(N(Cc2ccccn2)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCCN1c1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C32H27ClN4O4S/c33-25-11-9-24-21-29(16-10-23(24)20-25)42(40,41)37(22-26-6-1-3-17-34-26)30-7-5-19-36(32(30)39)28-14-12-27(13-15-28)35-18-4-2-8-31(35)38/h1-4,6,8-18,20-21,30H,5,7,19,22H2
InChIKeyQHVRBNVLDUJZJE-UHFFFAOYSA-N
XLogP5.43
TPSA92.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.11
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-oxo-1-[4-(2-oxo-1-pyridinyl)phenyl]piperidin-3-yl]-N-(pyridin-2-ylmethyl)naphthalene-2-sulfonamide?
The IUPAC name of 6-chloro-N-[2-oxo-1-[4-(2-oxo-1-pyridinyl)phenyl]piperidin-3-yl]-N-(pyridin-2-ylmethyl)naphthalene-2-sulfonamide (CID 10326225) is 6-chloro-N-[2-oxo-1-[4-(2-oxo-1-pyridinyl)phenyl]piperidin-3-yl]-N-(pyridin-2-ylmethyl)naphthalene-2-sulfonamide.
What is the SMILES notation for 6-chloro-N-[2-oxo-1-[4-(2-oxo-1-pyridinyl)phenyl]piperidin-3-yl]-N-(pyridin-2-ylmethyl)naphthalene-2-sulfonamide?
The canonical SMILES for 6-chloro-N-[2-oxo-1-[4-(2-oxo-1-pyridinyl)phenyl]piperidin-3-yl]-N-(pyridin-2-ylmethyl)naphthalene-2-sulfonamide is O=C1C(N(Cc2ccccn2)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCCN1c1ccc(-n2ccccc2=O)cc1.
What is the InChIKey of 6-chloro-N-[2-oxo-1-[4-(2-oxo-1-pyridinyl)phenyl]piperidin-3-yl]-N-(pyridin-2-ylmethyl)naphthalene-2-sulfonamide?
The InChIKey is QHVRBNVLDUJZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27ClN4O4S/c33-25-11-9-24-21-29(16-10-23(24)20-25)42(40,41)37(22-26-6-1-3-17-34-26)30-7-5-19-36(32(30)39)28-14-12-27(13-15-28)35-18-4-2-8-31(35)38/h1-4,6,8-18,20-21,30H,5,7,19,22H2.
What are the key properties of 6-chloro-N-[2-oxo-1-[4-(2-oxo-1-pyridinyl)phenyl]piperidin-3-yl]-N-(pyridin-2-ylmethyl)naphthalene-2-sulfonamide?
6-chloro-N-[2-oxo-1-[4-(2-oxo-1-pyridinyl)phenyl]piperidin-3-yl]-N-(pyridin-2-ylmethyl)naphthalene-2-sulfonamide has a molecular weight of 599.11 g/mol, XLogP of 5.43, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-oxo-1-[4-(2-oxo-1-pyridinyl)phenyl]piperidin-3-yl]-N-(pyridin-2-ylmethyl)naphthalene-2-sulfonamide is sourced from PubChem (CID 10326225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).