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

C16H16ClFN2O3S — CID 3523317

IUPAC3-chloro-4-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H16ClFN2O3S/c17-15-11-14(5-6-16(15)18)24(21,22)19-12-1-3-13(4-2-12)20-7-9-23-10-8-20/h1-6,11,19H,7-10H2
InChIKeyHCTUFTTVDWYWCM-UHFFFAOYSA-N
MW370.83 g/mol
LogP3.12
Rot. Bonds4

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

3-chloro-4-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide (PubChem CID 3523317) has the molecular formula C16H16ClFN2O3S and a molecular weight of 370.83 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
PubChem CID3523317
Molecular FormulaC16H16ClFN2O3S
Molecular Weight370.83 g/mol
Exact Mass370.06
IUPAC Name3-chloro-4-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H16ClFN2O3S/c17-15-11-14(5-6-16(15)18)24(21,22)19-12-1-3-13(4-2-12)20-7-9-23-10-8-20/h1-6,11,19H,7-10H2
InChIKeyHCTUFTTVDWYWCM-UHFFFAOYSA-N
XLogP3.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.83
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide (CID 3523317) is 3-chloro-4-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide?
The InChIKey is HCTUFTTVDWYWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O3S/c17-15-11-14(5-6-16(15)18)24(21,22)19-12-1-3-13(4-2-12)20-7-9-23-10-8-20/h1-6,11,19H,7-10H2.
What are the key properties of 3-chloro-4-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide?
3-chloro-4-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide has a molecular weight of 370.83 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 3523317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).