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

C32H27ClN4O4S — CID 10371357

IUPAC6-chloro-N-[2-oxo-1-[4-(2-oxo-1-pyridinyl)phenyl]piperidin-3-yl]-N-(pyridin-3-ylmethyl)naphthalene-2-sulfonamide
SMILESO=C1C(N(Cc2cccnc2)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCCN1c1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C32H27ClN4O4S/c33-26-10-8-25-20-29(15-9-24(25)19-26)42(40,41)37(22-23-5-3-16-34-21-23)30-6-4-18-36(32(30)39)28-13-11-27(12-14-28)35-17-2-1-7-31(35)38/h1-3,5,7-17,19-21,30H,4,6,18,22H2
InChIKeyIEAJWMNAIJBZLF-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-3-ylmethyl)naphthalene-2-sulfonamide

6-chloro-N-[2-oxo-1-[4-(2-oxo-1-pyridinyl)phenyl]piperidin-3-yl]-N-(pyridin-3-ylmethyl)naphthalene-2-sulfonamide (PubChem CID 10371357) 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-3-ylmethyl)naphthalene-2-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[2-oxo-1-[4-(2-oxo-1-pyridinyl)phenyl]piperidin-3-yl]-N-(pyridin-3-ylmethyl)naphthalene-2-sulfonamide
PubChem CID10371357
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-3-ylmethyl)naphthalene-2-sulfonamide
SMILESO=C1C(N(Cc2cccnc2)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCCN1c1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C32H27ClN4O4S/c33-26-10-8-25-20-29(15-9-24(25)19-26)42(40,41)37(22-23-5-3-16-34-21-23)30-6-4-18-36(32(30)39)28-13-11-27(12-14-28)35-17-2-1-7-31(35)38/h1-3,5,7-17,19-21,30H,4,6,18,22H2
InChIKeyIEAJWMNAIJBZLF-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-3-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-3-ylmethyl)naphthalene-2-sulfonamide (CID 10371357) is 6-chloro-N-[2-oxo-1-[4-(2-oxo-1-pyridinyl)phenyl]piperidin-3-yl]-N-(pyridin-3-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-3-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-3-ylmethyl)naphthalene-2-sulfonamide is O=C1C(N(Cc2cccnc2)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-3-ylmethyl)naphthalene-2-sulfonamide?
The InChIKey is IEAJWMNAIJBZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27ClN4O4S/c33-26-10-8-25-20-29(15-9-24(25)19-26)42(40,41)37(22-23-5-3-16-34-21-23)30-6-4-18-36(32(30)39)28-13-11-27(12-14-28)35-17-2-1-7-31(35)38/h1-3,5,7-17,19-21,30H,4,6,18,22H2.
What are the key properties of 6-chloro-N-[2-oxo-1-[4-(2-oxo-1-pyridinyl)phenyl]piperidin-3-yl]-N-(pyridin-3-ylmethyl)naphthalene-2-sulfonamide?
6-chloro-N-[2-oxo-1-[4-(2-oxo-1-pyridinyl)phenyl]piperidin-3-yl]-N-(pyridin-3-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-3-ylmethyl)naphthalene-2-sulfonamide is sourced from PubChem (CID 10371357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).