N-(3-chloro-2-morpholin-4-ylphenyl)-3,4-difluorobenzenesulfonamide

C16H15ClF2N2O3S — CID 17490003

IUPACN-(3-chloro-2-morpholin-4-ylphenyl)-3,4-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cccc(Cl)c1N1CCOCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H15ClF2N2O3S/c17-12-2-1-3-15(16(12)21-6-8-24-9-7-21)20-25(22,23)11-4-5-13(18)14(19)10-11/h1-5,10,20H,6-9H2
InChIKeyAHTJDSPLXDITKU-UHFFFAOYSA-N
MW388.82 g/mol
LogP3.26
Rot. Bonds4

About N-(3-chloro-2-morpholin-4-ylphenyl)-3,4-difluorobenzenesulfonamide

N-(3-chloro-2-morpholin-4-ylphenyl)-3,4-difluorobenzenesulfonamide (PubChem CID 17490003) has the molecular formula C16H15ClF2N2O3S and a molecular weight of 388.82 g/mol. Its IUPAC name is N-(3-chloro-2-morpholin-4-ylphenyl)-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2-morpholin-4-ylphenyl)-3,4-difluorobenzenesulfonamide
PubChem CID17490003
Molecular FormulaC16H15ClF2N2O3S
Molecular Weight388.82 g/mol
Exact Mass388.05
IUPAC NameN-(3-chloro-2-morpholin-4-ylphenyl)-3,4-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cccc(Cl)c1N1CCOCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H15ClF2N2O3S/c17-12-2-1-3-15(16(12)21-6-8-24-9-7-21)20-25(22,23)11-4-5-13(18)14(19)10-11/h1-5,10,20H,6-9H2
InChIKeyAHTJDSPLXDITKU-UHFFFAOYSA-N
XLogP3.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.82
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-morpholin-4-ylphenyl)-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-(3-chloro-2-morpholin-4-ylphenyl)-3,4-difluorobenzenesulfonamide (CID 17490003) is N-(3-chloro-2-morpholin-4-ylphenyl)-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(3-chloro-2-morpholin-4-ylphenyl)-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(3-chloro-2-morpholin-4-ylphenyl)-3,4-difluorobenzenesulfonamide is O=S(=O)(Nc1cccc(Cl)c1N1CCOCC1)c1ccc(F)c(F)c1.
What is the InChIKey of N-(3-chloro-2-morpholin-4-ylphenyl)-3,4-difluorobenzenesulfonamide?
The InChIKey is AHTJDSPLXDITKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2N2O3S/c17-12-2-1-3-15(16(12)21-6-8-24-9-7-21)20-25(22,23)11-4-5-13(18)14(19)10-11/h1-5,10,20H,6-9H2.
What are the key properties of N-(3-chloro-2-morpholin-4-ylphenyl)-3,4-difluorobenzenesulfonamide?
N-(3-chloro-2-morpholin-4-ylphenyl)-3,4-difluorobenzenesulfonamide has a molecular weight of 388.82 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-morpholin-4-ylphenyl)-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 17490003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).