3-chloro-4-fluoro-N-(2-morpholin-4-ylphenyl)benzenesulfonamide

C16H16ClFN2O3S — CID 2813491

IUPAC3-chloro-4-fluoro-N-(2-morpholin-4-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1N1CCOCC1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H16ClFN2O3S/c17-13-11-12(5-6-14(13)18)24(21,22)19-15-3-1-2-4-16(15)20-7-9-23-10-8-20/h1-6,11,19H,7-10H2
InChIKeyMPADTGIRWYVDPN-UHFFFAOYSA-N
MW370.83 g/mol
LogP3.12
Rot. Bonds4

About 3-chloro-4-fluoro-N-(2-morpholin-4-ylphenyl)benzenesulfonamide

3-chloro-4-fluoro-N-(2-morpholin-4-ylphenyl)benzenesulfonamide (PubChem CID 2813491) has the molecular formula C16H16ClFN2O3S and a molecular weight of 370.83 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-(2-morpholin-4-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-(2-morpholin-4-ylphenyl)benzenesulfonamide
PubChem CID2813491
Molecular FormulaC16H16ClFN2O3S
Molecular Weight370.83 g/mol
Exact Mass370.06
IUPAC Name3-chloro-4-fluoro-N-(2-morpholin-4-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1N1CCOCC1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H16ClFN2O3S/c17-13-11-12(5-6-14(13)18)24(21,22)19-15-3-1-2-4-16(15)20-7-9-23-10-8-20/h1-6,11,19H,7-10H2
InChIKeyMPADTGIRWYVDPN-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

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Related Compounds

5-amino-N-(2-chlorophenyl)-2-(morpholin-4-yl)benzene-1-sulfonamide
CID 5010173
3-amino-N-(4-chlorophenyl)-4-(morpholin-4-yl)benzene-1-sulfonamide
CID 3875844
3-amino-N-(2,5-dichlorophenyl)-4-(morpholin-4-yl)benzene-1-sulfonamide
CID 3866644
1-[(4-Chlorophenyl)sulfonyl]-4-(4-fluorophenyl)piperazine
CID 985365
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 2413278
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 2677684
4-chloro-N-(2-morpholin-4-ylphenyl)benzenesulfonamide
CID 4794708
N-[4-[(5-chloro-2-morpholin-4-ylphenyl)sulfamoyl]phenyl]acetamide
CID 2100353
N-(5-chloro-2-morpholin-4-ylphenyl)-3-methylbenzenesulfonamide
CID 2120968
2,4-difluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 2398321
4-fluoro-N-(4-morpholinophenyl)benzenesulfonamide
CID 784121
2,5-dichloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 3750785

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-(2-morpholin-4-ylphenyl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-(2-morpholin-4-ylphenyl)benzenesulfonamide (CID 2813491) is 3-chloro-4-fluoro-N-(2-morpholin-4-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-(2-morpholin-4-ylphenyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-(2-morpholin-4-ylphenyl)benzenesulfonamide is O=S(=O)(Nc1ccccc1N1CCOCC1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-(2-morpholin-4-ylphenyl)benzenesulfonamide?
The InChIKey is MPADTGIRWYVDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O3S/c17-13-11-12(5-6-14(13)18)24(21,22)19-15-3-1-2-4-16(15)20-7-9-23-10-8-20/h1-6,11,19H,7-10H2.
What are the key properties of 3-chloro-4-fluoro-N-(2-morpholin-4-ylphenyl)benzenesulfonamide?
3-chloro-4-fluoro-N-(2-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-(2-morpholin-4-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 2813491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).