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

C17H18ClFN2O6S2 — CID 42992279

IUPAC3-chloro-4-fluoro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H18ClFN2O6S2/c1-26-16-5-2-12(10-17(16)29(24,25)21-6-8-27-9-7-21)20-28(22,23)13-3-4-15(19)14(18)11-13/h2-5,10-11,20H,6-9H2,1H3
InChIKeyAXHNRKZHAMBVEE-UHFFFAOYSA-N
MW464.92 g/mol
LogP2.31
Rot. Bonds6

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

3-chloro-4-fluoro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide (PubChem CID 42992279) has the molecular formula C17H18ClFN2O6S2 and a molecular weight of 464.92 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
PubChem CID42992279
Molecular FormulaC17H18ClFN2O6S2
Molecular Weight464.92 g/mol
Exact Mass464.03
IUPAC Name3-chloro-4-fluoro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H18ClFN2O6S2/c1-26-16-5-2-12(10-17(16)29(24,25)21-6-8-27-9-7-21)20-28(22,23)13-3-4-15(19)14(18)11-13/h2-5,10-11,20H,6-9H2,1H3
InChIKeyAXHNRKZHAMBVEE-UHFFFAOYSA-N
XLogP2.31
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.92
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 100539420
3-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]benzoic acid
CID 5176528
4-(5-chloro-2-methoxyphenyl)sulfonylmorpholine
CID 5201304
N-[5-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100501916
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(3-methylbutyl)benzenesulfonamide
CID 30953534
3-[4-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 4533150
3-bromo-4-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 1349058
N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 119041012
N-(4-chloro-2-fluorophenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)acetamide
CID 4840852
3-fluoro-4-methoxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 25438460
N-[(1S)-1-(2,6-difluorophenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylaniline
CID 97020537
3-chloro-4-fluoro-N-(3-morpholin-4-ylphenyl)benzenesulfonamide
CID 55891189

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide (CID 42992279) is 3-chloro-4-fluoro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 3-chloro-4-fluoro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
The InChIKey is AXHNRKZHAMBVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O6S2/c1-26-16-5-2-12(10-17(16)29(24,25)21-6-8-27-9-7-21)20-28(22,23)13-3-4-15(19)14(18)11-13/h2-5,10-11,20H,6-9H2,1H3.
What are the key properties of 3-chloro-4-fluoro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
3-chloro-4-fluoro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide has a molecular weight of 464.92 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide is sourced from PubChem (CID 42992279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).