N-(5-chloro-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide

C16H16ClN3O4S — CID 1105139

IUPACN-(5-chloro-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(Cl)cn1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C16H16ClN3O4S/c17-13-4-5-15(18-11-13)19-16(21)12-2-1-3-14(10-12)25(22,23)20-6-8-24-9-7-20/h1-5,10-11H,6-9H2,(H,18,19,21)
InChIKeyKFBLHJBIMBEFGA-UHFFFAOYSA-N
MW381.84 g/mol
LogP2.01
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide

N-(5-chloro-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 1105139) has the molecular formula C16H16ClN3O4S and a molecular weight of 381.84 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID1105139
Molecular FormulaC16H16ClN3O4S
Molecular Weight381.84 g/mol
Exact Mass381.06
IUPAC NameN-(5-chloro-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(Cl)cn1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C16H16ClN3O4S/c17-13-4-5-15(18-11-13)19-16(21)12-2-1-3-14(10-12)25(22,23)20-6-8-24-9-7-20/h1-5,10-11H,6-9H2,(H,18,19,21)
InChIKeyKFBLHJBIMBEFGA-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-(5-chloro-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide (CID 1105139) is N-(5-chloro-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide is O=C(Nc1ccc(Cl)cn1)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is KFBLHJBIMBEFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O4S/c17-13-4-5-15(18-11-13)19-16(21)12-2-1-3-14(10-12)25(22,23)20-6-8-24-9-7-20/h1-5,10-11H,6-9H2,(H,18,19,21).
What are the key properties of N-(5-chloro-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide?
N-(5-chloro-2-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-(5-chloro-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 1105139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).