2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide

C25H26FN3O7S2 — CID 4058854

IUPAC2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C25H26FN3O7S2/c1-17-15-18(7-9-21(17)26)37(31,32)28-22-6-4-3-5-20(22)25(30)27-23-16-19(8-10-24(23)35-2)38(33,34)29-11-13-36-14-12-29/h3-10,15-16,28H,11-14H2,1-2H3,(H,27,30)
InChIKeyVXTIOJVMQMDTFE-UHFFFAOYSA-N
MW563.63 g/mol
LogP3.22
Rot. Bonds8

About 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide

2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide (PubChem CID 4058854) has the molecular formula C25H26FN3O7S2 and a molecular weight of 563.63 g/mol. Its IUPAC name is 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide
PubChem CID4058854
Molecular FormulaC25H26FN3O7S2
Molecular Weight563.63 g/mol
Exact Mass563.12
IUPAC Name2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C25H26FN3O7S2/c1-17-15-18(7-9-21(17)26)37(31,32)28-22-6-4-3-5-20(22)25(30)27-23-16-19(8-10-24(23)35-2)38(33,34)29-11-13-36-14-12-29/h3-10,15-16,28H,11-14H2,1-2H3,(H,27,30)
InChIKeyVXTIOJVMQMDTFE-UHFFFAOYSA-N
XLogP3.22
TPSA131.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.63
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-fluoro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4799979
N-(2-chlorophenyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 18195774
N-[5-[(2-methoxy-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100651378
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenylbenzamide
CID 4875043
2-iodo-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 38020238
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylpropanamide
CID 8746778
2-fluoro-N-(2-methoxydibenzofuran-3-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 2385539
N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 43882681
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylbenzamide
CID 8746944
methyl 2,4-difluoro-5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 24659342
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-sulfamoylbenzamide
CID 24636022
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenoxybenzenesulfonamide
CID 28579503

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide?
The IUPAC name of 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide (CID 4058854) is 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide?
The canonical SMILES for 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(C)c1.
What is the InChIKey of 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide?
The InChIKey is VXTIOJVMQMDTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O7S2/c1-17-15-18(7-9-21(17)26)37(31,32)28-22-6-4-3-5-20(22)25(30)27-23-16-19(8-10-24(23)35-2)38(33,34)29-11-13-36-14-12-29/h3-10,15-16,28H,11-14H2,1-2H3,(H,27,30).
What are the key properties of 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide?
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide has a molecular weight of 563.63 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 4058854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).