4-chloro-3-morpholin-4-ylsulfonylbenzoic acid

C11H12ClNO5S — CID 767900

IUPAC4-chloro-3-morpholin-4-ylsulfonylbenzoic acid
SMILESO=C(O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C11H12ClNO5S/c12-9-2-1-8(11(14)15)7-10(9)19(16,17)13-3-5-18-6-4-13/h1-2,7H,3-6H2,(H,14,15)
InChIKeyFHALQCKQZFYPGB-UHFFFAOYSA-N
MW305.74 g/mol
LogP1.06
Rot. Bonds3

About 4-chloro-3-morpholin-4-ylsulfonylbenzoic acid

4-chloro-3-morpholin-4-ylsulfonylbenzoic acid (PubChem CID 767900) has the molecular formula C11H12ClNO5S and a molecular weight of 305.74 g/mol. Its IUPAC name is 4-chloro-3-morpholin-4-ylsulfonylbenzoic acid.

Molecular Properties

Compound Name4-chloro-3-morpholin-4-ylsulfonylbenzoic acid
PubChem CID767900
Molecular FormulaC11H12ClNO5S
Molecular Weight305.74 g/mol
Exact Mass305.01
IUPAC Name4-chloro-3-morpholin-4-ylsulfonylbenzoic acid
SMILESO=C(O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C11H12ClNO5S/c12-9-2-1-8(11(14)15)7-10(9)19(16,17)13-3-5-18-6-4-13/h1-2,7H,3-6H2,(H,14,15)
InChIKeyFHALQCKQZFYPGB-UHFFFAOYSA-N
XLogP1.06
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.74
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-morpholin-4-ylsulfonylbenzoic acid?
The IUPAC name of 4-chloro-3-morpholin-4-ylsulfonylbenzoic acid (CID 767900) is 4-chloro-3-morpholin-4-ylsulfonylbenzoic acid.
What is the SMILES notation for 4-chloro-3-morpholin-4-ylsulfonylbenzoic acid?
The canonical SMILES for 4-chloro-3-morpholin-4-ylsulfonylbenzoic acid is O=C(O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 4-chloro-3-morpholin-4-ylsulfonylbenzoic acid?
The InChIKey is FHALQCKQZFYPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO5S/c12-9-2-1-8(11(14)15)7-10(9)19(16,17)13-3-5-18-6-4-13/h1-2,7H,3-6H2,(H,14,15).
What are the key properties of 4-chloro-3-morpholin-4-ylsulfonylbenzoic acid?
4-chloro-3-morpholin-4-ylsulfonylbenzoic acid has a molecular weight of 305.74 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-morpholin-4-ylsulfonylbenzoic acid is sourced from PubChem (CID 767900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).