3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)phenyl]propanamide

C16H18FN3O5S2 — CID 25373946

IUPAC3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)phenyl]propanamide
SMILESCS(=O)(=O)Nc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H18FN3O5S2/c1-26(22,23)20-14-6-4-13(5-7-14)19-16(21)10-11-18-27(24,25)15-8-2-12(17)3-9-15/h2-9,18,20H,10-11H2,1H3,(H,19,21)
InChIKeyPEGOGUGFBCDQPP-UHFFFAOYSA-N
MW415.47 g/mol
LogP1.50
Rot. Bonds8

About 3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)phenyl]propanamide

3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)phenyl]propanamide (PubChem CID 25373946) has the molecular formula C16H18FN3O5S2 and a molecular weight of 415.47 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)phenyl]propanamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)phenyl]propanamide
PubChem CID25373946
Molecular FormulaC16H18FN3O5S2
Molecular Weight415.47 g/mol
Exact Mass415.07
IUPAC Name3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)phenyl]propanamide
SMILESCS(=O)(=O)Nc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H18FN3O5S2/c1-26(22,23)20-14-6-4-13(5-7-14)19-16(21)10-11-18-27(24,25)15-8-2-12(17)3-9-15/h2-9,18,20H,10-11H2,1H3,(H,19,21)
InChIKeyPEGOGUGFBCDQPP-UHFFFAOYSA-N
XLogP1.50
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-fluorophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide
CID 9452229
3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)-3-methoxyphenyl]propanamide
CID 55635947
3-[(4-fluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 17192102
3-[(4-fluorophenyl)sulfonylamino]-N-[4-(hexylsulfamoyl)phenyl]propanamide
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4-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide
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4-[(4-fluorophenyl)sulfonylamino]-N-[4-(methylsulfamoyl)phenyl]butanamide
CID 24635402
N-[4-(cyanomethyl)phenyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 35707657
3-[(4-fluorophenyl)sulfonylamino]-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 18280052
N-(3-fluorophenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192108
4-[(4-fluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)butanamide
CID 9411896
4-[4-[(4-fluorophenyl)sulfamoyl]anilino]-4-oxobutanoic acid
CID 1010683
3-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 2451587

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)phenyl]propanamide?
The IUPAC name of 3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)phenyl]propanamide (CID 25373946) is 3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)phenyl]propanamide.
What is the SMILES notation for 3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)phenyl]propanamide?
The canonical SMILES for 3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)phenyl]propanamide is CS(=O)(=O)Nc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)phenyl]propanamide?
The InChIKey is PEGOGUGFBCDQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O5S2/c1-26(22,23)20-14-6-4-13(5-7-14)19-16(21)10-11-18-27(24,25)15-8-2-12(17)3-9-15/h2-9,18,20H,10-11H2,1H3,(H,19,21).
What are the key properties of 3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)phenyl]propanamide?
3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)phenyl]propanamide has a molecular weight of 415.47 g/mol, XLogP of 1.50, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)phenyl]propanamide is sourced from PubChem (CID 25373946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).