4-chloro-3-morpholin-4-ylsulfonyl-N-pyridin-3-ylbenzamide

C16H16ClN3O4S — CID 1091828

IUPAC4-chloro-3-morpholin-4-ylsulfonyl-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C16H16ClN3O4S/c17-14-4-3-12(16(21)19-13-2-1-5-18-11-13)10-15(14)25(22,23)20-6-8-24-9-7-20/h1-5,10-11H,6-9H2,(H,19,21)
InChIKeyDIXDGLSXHHWYSX-UHFFFAOYSA-N
MW381.84 g/mol
LogP2.01
Rot. Bonds4

About 4-chloro-3-morpholin-4-ylsulfonyl-N-pyridin-3-ylbenzamide

4-chloro-3-morpholin-4-ylsulfonyl-N-pyridin-3-ylbenzamide (PubChem CID 1091828) has the molecular formula C16H16ClN3O4S and a molecular weight of 381.84 g/mol. Its IUPAC name is 4-chloro-3-morpholin-4-ylsulfonyl-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-chloro-3-morpholin-4-ylsulfonyl-N-pyridin-3-ylbenzamide
PubChem CID1091828
Molecular FormulaC16H16ClN3O4S
Molecular Weight381.84 g/mol
Exact Mass381.06
IUPAC Name4-chloro-3-morpholin-4-ylsulfonyl-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C16H16ClN3O4S/c17-14-4-3-12(16(21)19-13-2-1-5-18-11-13)10-15(14)25(22,23)20-6-8-24-9-7-20/h1-5,10-11H,6-9H2,(H,19,21)
InChIKeyDIXDGLSXHHWYSX-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 4-chloro-3-morpholin-4-ylsulfonyl-N-pyridin-3-ylbenzamide?
The IUPAC name of 4-chloro-3-morpholin-4-ylsulfonyl-N-pyridin-3-ylbenzamide (CID 1091828) is 4-chloro-3-morpholin-4-ylsulfonyl-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-chloro-3-morpholin-4-ylsulfonyl-N-pyridin-3-ylbenzamide?
The canonical SMILES for 4-chloro-3-morpholin-4-ylsulfonyl-N-pyridin-3-ylbenzamide is O=C(Nc1cccnc1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 4-chloro-3-morpholin-4-ylsulfonyl-N-pyridin-3-ylbenzamide?
The InChIKey is DIXDGLSXHHWYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O4S/c17-14-4-3-12(16(21)19-13-2-1-5-18-11-13)10-15(14)25(22,23)20-6-8-24-9-7-20/h1-5,10-11H,6-9H2,(H,19,21).
What are the key properties of 4-chloro-3-morpholin-4-ylsulfonyl-N-pyridin-3-ylbenzamide?
4-chloro-3-morpholin-4-ylsulfonyl-N-pyridin-3-ylbenzamide 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 4-chloro-3-morpholin-4-ylsulfonyl-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 1091828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).