N-[3-[[3-[(2-chlorophenyl)sulfonylamino]propanoylamino]methyl]phenyl]-4-fluorobenzamide

C23H21ClFN3O4S — CID 55947108

IUPACN-[3-[[3-[(2-chlorophenyl)sulfonylamino]propanoylamino]methyl]phenyl]-4-fluorobenzamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1Cl)NCc1cccc(NC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C23H21ClFN3O4S/c24-20-6-1-2-7-21(20)33(31,32)27-13-12-22(29)26-15-16-4-3-5-19(14-16)28-23(30)17-8-10-18(25)11-9-17/h1-11,14,27H,12-13,15H2,(H,26,29)(H,28,30)
InChIKeyHWGMJVMFIGAYRL-UHFFFAOYSA-N
MW489.96 g/mol
LogP3.72
Rot. Bonds9

About N-[3-[[3-[(2-chlorophenyl)sulfonylamino]propanoylamino]methyl]phenyl]-4-fluorobenzamide

N-[3-[[3-[(2-chlorophenyl)sulfonylamino]propanoylamino]methyl]phenyl]-4-fluorobenzamide (PubChem CID 55947108) has the molecular formula C23H21ClFN3O4S and a molecular weight of 489.96 g/mol. Its IUPAC name is N-[3-[[3-[(2-chlorophenyl)sulfonylamino]propanoylamino]methyl]phenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[3-[[3-[(2-chlorophenyl)sulfonylamino]propanoylamino]methyl]phenyl]-4-fluorobenzamide
PubChem CID55947108
Molecular FormulaC23H21ClFN3O4S
Molecular Weight489.96 g/mol
Exact Mass489.09
IUPAC NameN-[3-[[3-[(2-chlorophenyl)sulfonylamino]propanoylamino]methyl]phenyl]-4-fluorobenzamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1Cl)NCc1cccc(NC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C23H21ClFN3O4S/c24-20-6-1-2-7-21(20)33(31,32)27-13-12-22(29)26-15-16-4-3-5-19(14-16)28-23(30)17-8-10-18(25)11-9-17/h1-11,14,27H,12-13,15H2,(H,26,29)(H,28,30)
InChIKeyHWGMJVMFIGAYRL-UHFFFAOYSA-N
XLogP3.72
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.96
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[3-[(2-chlorophenyl)sulfonylamino]propanoylamino]phenyl]benzamide
CID 55868550
3-[(2-chlorophenyl)sulfonylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]propanamide
CID 55858772
4-fluoro-N-[3-[[3-(2-hydroxyphenyl)propanoylamino]methyl]phenyl]benzamide
CID 51121607
2,3-dichloro-N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]benzamide
CID 55893391
N-[4-[(3-acetamidophenyl)methylamino]-4-oxobutyl]-4-fluorobenzamide
CID 47070838
3-[(2-chlorophenyl)sulfonylamino]-N-(thiophen-3-ylmethyl)propanamide
CID 55694010
3-[(2-chlorophenyl)sulfonylamino]-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide
CID 55635678
N-[(3-acetamidophenyl)methyl]-3-[(3-chlorophenyl)sulfonylamino]propanamide
CID 55694254
N-[3-[[3-[(4-tert-butylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]furan-2-carboxamide
CID 55638477
N-[3-[[(2-cyclohexylacetyl)amino]methyl]phenyl]-4-fluorobenzamide
CID 55893896
3-bromo-N-[2-[[3-[(4-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]benzamide
CID 55948110
N-[3-[[3-(benzenesulfonamido)propanoylamino]methyl]phenyl]-2-methylpropanamide
CID 33021299

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-[(2-chlorophenyl)sulfonylamino]propanoylamino]methyl]phenyl]-4-fluorobenzamide?
The IUPAC name of N-[3-[[3-[(2-chlorophenyl)sulfonylamino]propanoylamino]methyl]phenyl]-4-fluorobenzamide (CID 55947108) is N-[3-[[3-[(2-chlorophenyl)sulfonylamino]propanoylamino]methyl]phenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[3-[[3-[(2-chlorophenyl)sulfonylamino]propanoylamino]methyl]phenyl]-4-fluorobenzamide?
The canonical SMILES for N-[3-[[3-[(2-chlorophenyl)sulfonylamino]propanoylamino]methyl]phenyl]-4-fluorobenzamide is O=C(CCNS(=O)(=O)c1ccccc1Cl)NCc1cccc(NC(=O)c2ccc(F)cc2)c1.
What is the InChIKey of N-[3-[[3-[(2-chlorophenyl)sulfonylamino]propanoylamino]methyl]phenyl]-4-fluorobenzamide?
The InChIKey is HWGMJVMFIGAYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN3O4S/c24-20-6-1-2-7-21(20)33(31,32)27-13-12-22(29)26-15-16-4-3-5-19(14-16)28-23(30)17-8-10-18(25)11-9-17/h1-11,14,27H,12-13,15H2,(H,26,29)(H,28,30).
What are the key properties of N-[3-[[3-[(2-chlorophenyl)sulfonylamino]propanoylamino]methyl]phenyl]-4-fluorobenzamide?
N-[3-[[3-[(2-chlorophenyl)sulfonylamino]propanoylamino]methyl]phenyl]-4-fluorobenzamide has a molecular weight of 489.96 g/mol, XLogP of 3.72, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-[(2-chlorophenyl)sulfonylamino]propanoylamino]methyl]phenyl]-4-fluorobenzamide is sourced from PubChem (CID 55947108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).