N-(2-chloro-3-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide

C16H16ClN3O4S — CID 1217142

IUPACN-(2-chloro-3-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1cccnc1Cl)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C16H16ClN3O4S/c17-15-14(5-2-6-18-15)19-16(21)12-3-1-4-13(11-12)25(22,23)20-7-9-24-10-8-20/h1-6,11H,7-10H2,(H,19,21)
InChIKeyYCCIXFMBZSHNQA-UHFFFAOYSA-N
MW381.84 g/mol
LogP2.01
Rot. Bonds4

About N-(2-chloro-3-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide

N-(2-chloro-3-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 1217142) has the molecular formula C16H16ClN3O4S and a molecular weight of 381.84 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID1217142
Molecular FormulaC16H16ClN3O4S
Molecular Weight381.84 g/mol
Exact Mass381.06
IUPAC NameN-(2-chloro-3-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1cccnc1Cl)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C16H16ClN3O4S/c17-15-14(5-2-6-18-15)19-16(21)12-3-1-4-13(11-12)25(22,23)20-7-9-24-10-8-20/h1-6,11H,7-10H2,(H,19,21)
InChIKeyYCCIXFMBZSHNQA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide (CID 1217142) is N-(2-chloro-3-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide is O=C(Nc1cccnc1Cl)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is YCCIXFMBZSHNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O4S/c17-15-14(5-2-6-18-15)19-16(21)12-3-1-4-13(11-12)25(22,23)20-7-9-24-10-8-20/h1-6,11H,7-10H2,(H,19,21).
What are the key properties of N-(2-chloro-3-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide?
N-(2-chloro-3-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide 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-3-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 1217142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).