3-chloro-4-fluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide

C16H16ClFN2O5S2 — CID 3276005

IUPAC3-chloro-4-fluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H16ClFN2O5S2/c17-15-11-13(4-5-16(15)18)26(21,22)19-12-2-1-3-14(10-12)27(23,24)20-6-8-25-9-7-20/h1-5,10-11,19H,6-9H2
InChIKeyZHWODNQABOLIMF-UHFFFAOYSA-N
MW434.90 g/mol
LogP2.30
Rot. Bonds5

About 3-chloro-4-fluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide

3-chloro-4-fluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide (PubChem CID 3276005) has the molecular formula C16H16ClFN2O5S2 and a molecular weight of 434.90 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
PubChem CID3276005
Molecular FormulaC16H16ClFN2O5S2
Molecular Weight434.90 g/mol
Exact Mass434.02
IUPAC Name3-chloro-4-fluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H16ClFN2O5S2/c17-15-11-13(4-5-16(15)18)26(21,22)19-12-2-1-3-14(10-12)27(23,24)20-6-8-25-9-7-20/h1-5,10-11,19H,6-9H2
InChIKeyZHWODNQABOLIMF-UHFFFAOYSA-N
XLogP2.30
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.90
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-(2-chlorophenyl)-2-(morpholin-4-yl)benzene-1-sulfonamide
CID 5010173
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 4851806
N-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 2105725
2-Chloro-5-(morpholine-4-sulfonyl)aniline
CID 3431157
3-chloro-4-fluoro-N-(2-morpholinophenyl)benzenesulfonamide
CID 2813491
(2-Chloro-4-sulfamoylanilino) morpholine-4-carbodithioate
CID 44269025
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 132191129
2,4-dichloro-N-(3-fluorophenyl)-5-morpholin-4-ylsulfonylbenzenesulfonamide
CID 132191139
N-(2,4-dichloro-5-morpholin-4-ylsulfonylphenyl)-3-fluorobenzenesulfonamide
CID 132204178
N-(2,4-dichloro-5-morpholin-4-ylsulfonylphenyl)-3-fluoro-N-(3-fluorophenyl)sulfonylbenzenesulfonamide
CID 132204180
3-chloro-2,4,6-trifluoro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 3961235
[(2-Chloro-5-nitrophenyl)sulfonyl][4-(morpholin-4-ylsulfonyl)phenyl]amine
CID 4211620

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide (CID 3276005) is 3-chloro-4-fluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide is O=S(=O)(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
The InChIKey is ZHWODNQABOLIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O5S2/c17-15-11-13(4-5-16(15)18)26(21,22)19-12-2-1-3-14(10-12)27(23,24)20-6-8-25-9-7-20/h1-5,10-11,19H,6-9H2.
What are the key properties of 3-chloro-4-fluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
3-chloro-4-fluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide has a molecular weight of 434.90 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide is sourced from PubChem (CID 3276005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).