N-[2-(difluoromethoxy)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide

C17H18F2N2O6S2 — CID 3904128

IUPACN-[2-(difluoromethoxy)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1OC(F)F)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H18F2N2O6S2/c18-17(19)27-16-4-2-1-3-15(16)20-28(22,23)13-5-7-14(8-6-13)29(24,25)21-9-11-26-12-10-21/h1-8,17,20H,9-12H2
InChIKeySGXDVVAPFQHHGE-UHFFFAOYSA-N
MW448.47 g/mol
LogP2.11
Rot. Bonds7

About N-[2-(difluoromethoxy)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide

N-[2-(difluoromethoxy)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide (PubChem CID 3904128) has the molecular formula C17H18F2N2O6S2 and a molecular weight of 448.47 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide
PubChem CID3904128
Molecular FormulaC17H18F2N2O6S2
Molecular Weight448.47 g/mol
Exact Mass448.06
IUPAC NameN-[2-(difluoromethoxy)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1OC(F)F)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H18F2N2O6S2/c18-17(19)27-16-4-2-1-3-15(16)20-28(22,23)13-5-7-14(8-6-13)29(24,25)21-9-11-26-12-10-21/h1-8,17,20H,9-12H2
InChIKeySGXDVVAPFQHHGE-UHFFFAOYSA-N
XLogP2.11
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.47
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(difluoromethoxy)phenyl]-4-fluorobenzenesulfonamide
CID 7950025
N-[2-(difluoromethoxy)phenyl]benzenesulfonamide
CID 8504766
N-(2,3-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 7938577
N-(2-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 167792664
1-[2-methoxy-4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 25035866
N-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)benzenesulfonamide
CID 3881300
N-[2-(difluoromethoxy)phenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27445242
N-benzhydryl-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 1168367
4-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzenesulfonamide
CID 3508166
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenoxybenzenesulfonamide
CID 28579503
N-(2-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 55559756
4-bromo-N-[2-(difluoromethoxy)phenyl]-3-methylbenzenesulfonamide
CID 8504785

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide (CID 3904128) is N-[2-(difluoromethoxy)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide is O=S(=O)(Nc1ccccc1OC(F)F)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide?
The InChIKey is SGXDVVAPFQHHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O6S2/c18-17(19)27-16-4-2-1-3-15(16)20-28(22,23)13-5-7-14(8-6-13)29(24,25)21-9-11-26-12-10-21/h1-8,17,20H,9-12H2.
What are the key properties of N-[2-(difluoromethoxy)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide?
N-[2-(difluoromethoxy)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide has a molecular weight of 448.47 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide is sourced from PubChem (CID 3904128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).