N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)pyridine-4-carboxamide

C16H16ClN3O4S — CID 5137553

IUPACN-(2-chloro-5-morpholin-4-ylsulfonylphenyl)pyridine-4-carboxamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccncc1
InChIInChI=1S/C16H16ClN3O4S/c17-14-2-1-13(25(22,23)20-7-9-24-10-8-20)11-15(14)19-16(21)12-3-5-18-6-4-12/h1-6,11H,7-10H2,(H,19,21)
InChIKeyBOGUZOLVZWNYCK-UHFFFAOYSA-N
MW381.84 g/mol
LogP2.01
Rot. Bonds4

About N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)pyridine-4-carboxamide

N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)pyridine-4-carboxamide (PubChem CID 5137553) has the molecular formula C16H16ClN3O4S and a molecular weight of 381.84 g/mol. Its IUPAC name is N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-morpholin-4-ylsulfonylphenyl)pyridine-4-carboxamide
PubChem CID5137553
Molecular FormulaC16H16ClN3O4S
Molecular Weight381.84 g/mol
Exact Mass381.06
IUPAC NameN-(2-chloro-5-morpholin-4-ylsulfonylphenyl)pyridine-4-carboxamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccncc1
InChIInChI=1S/C16H16ClN3O4S/c17-14-2-1-13(25(22,23)20-7-9-24-10-8-20)11-15(14)19-16(21)12-3-5-18-6-4-12/h1-6,11H,7-10H2,(H,19,21)
InChIKeyBOGUZOLVZWNYCK-UHFFFAOYSA-N
XLogP2.01
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.84
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)pyridine-4-carboxamide?
The IUPAC name of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)pyridine-4-carboxamide (CID 5137553) is N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)pyridine-4-carboxamide?
The canonical SMILES for N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)pyridine-4-carboxamide is O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccncc1.
What is the InChIKey of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)pyridine-4-carboxamide?
The InChIKey is BOGUZOLVZWNYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O4S/c17-14-2-1-13(25(22,23)20-7-9-24-10-8-20)11-15(14)19-16(21)12-3-5-18-6-4-12/h1-6,11H,7-10H2,(H,19,21).
What are the key properties of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)pyridine-4-carboxamide?
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)pyridine-4-carboxamide has a molecular weight of 381.84 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 5137553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).