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

C16H16ClFN2O3S — CID 55891189

IUPAC3-chloro-4-fluoro-N-(3-morpholin-4-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(N2CCOCC2)c1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H16ClFN2O3S/c17-15-11-14(4-5-16(15)18)24(21,22)19-12-2-1-3-13(10-12)20-6-8-23-9-7-20/h1-5,10-11,19H,6-9H2
InChIKeyBMYKCIVYWDOOOX-UHFFFAOYSA-N
MW370.83 g/mol
LogP3.12
Rot. Bonds4

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

3-chloro-4-fluoro-N-(3-morpholin-4-ylphenyl)benzenesulfonamide (PubChem CID 55891189) has the molecular formula C16H16ClFN2O3S and a molecular weight of 370.83 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-(3-morpholin-4-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-(3-morpholin-4-ylphenyl)benzenesulfonamide
PubChem CID55891189
Molecular FormulaC16H16ClFN2O3S
Molecular Weight370.83 g/mol
Exact Mass370.06
IUPAC Name3-chloro-4-fluoro-N-(3-morpholin-4-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(N2CCOCC2)c1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H16ClFN2O3S/c17-15-11-14(4-5-16(15)18)24(21,22)19-12-2-1-3-13(10-12)20-6-8-23-9-7-20/h1-5,10-11,19H,6-9H2
InChIKeyBMYKCIVYWDOOOX-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_H(6)', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-(3-morpholin-4-ylphenyl)benzenesulfonamide
CID 55891569
6-chloro-N-(3-morpholin-4-ylphenyl)pyridine-3-sulfonamide
CID 110423235
4-methoxy-3-methyl-N-(3-morpholin-4-ylphenyl)benzenesulfonamide
CID 110362395
3,4-difluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 22203318
3-chloro-4-fluoro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 42992279
N-(3-chloro-4-fluorophenyl)-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 39825155
N-(3-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110361647
3,5-dichloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 3856880
3-chloro-4-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 5089325
3-chloro-N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 3742158
N-(3-benzylphenyl)-3-chloro-4-fluorobenzenesulfonamide
CID 3719426
4-fluoro-N-[3-[4-(oxolan-3-ylamino)piperidin-1-yl]phenyl]benzenesulfonamide
CID 45247645

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-(3-morpholin-4-ylphenyl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-(3-morpholin-4-ylphenyl)benzenesulfonamide (CID 55891189) is 3-chloro-4-fluoro-N-(3-morpholin-4-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-(3-morpholin-4-ylphenyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-(3-morpholin-4-ylphenyl)benzenesulfonamide is O=S(=O)(Nc1cccc(N2CCOCC2)c1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-(3-morpholin-4-ylphenyl)benzenesulfonamide?
The InChIKey is BMYKCIVYWDOOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O3S/c17-15-11-14(4-5-16(15)18)24(21,22)19-12-2-1-3-13(10-12)20-6-8-23-9-7-20/h1-5,10-11,19H,6-9H2.
What are the key properties of 3-chloro-4-fluoro-N-(3-morpholin-4-ylphenyl)benzenesulfonamide?
3-chloro-4-fluoro-N-(3-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-(3-morpholin-4-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 55891189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).