N-[(4-fluorophenyl)methyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide

C22H21FN2O4S — CID 3311699

IUPACN-[(4-fluorophenyl)methyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C22H21FN2O4S/c1-29-20-10-12-21(13-11-20)30(27,28)25-15-17-2-6-18(7-3-17)22(26)24-14-16-4-8-19(23)9-5-16/h2-13,25H,14-15H2,1H3,(H,24,26)
InChIKeyMGXNLEXRLPEJDJ-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.24
Rot. Bonds8

About N-[(4-fluorophenyl)methyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide

N-[(4-fluorophenyl)methyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide (PubChem CID 3311699) has the molecular formula C22H21FN2O4S and a molecular weight of 428.49 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide
PubChem CID3311699
Molecular FormulaC22H21FN2O4S
Molecular Weight428.49 g/mol
Exact Mass428.12
IUPAC NameN-[(4-fluorophenyl)methyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C22H21FN2O4S/c1-29-20-10-12-21(13-11-20)30(27,28)25-15-17-2-6-18(7-3-17)22(26)24-14-16-4-8-19(23)9-5-16/h2-13,25H,14-15H2,1H3,(H,24,26)
InChIKeyMGXNLEXRLPEJDJ-UHFFFAOYSA-N
XLogP3.24
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(4-bromophenyl)sulfonylamino]methyl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 20854229
N-[(4-chlorophenyl)methyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]benzamide
CID 5073710
4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
CID 40718070
N-[(4-methoxyphenyl)methyl]-4-(3-methoxypropylsulfamoyl)benzamide
CID 109059892
N-[(4-methoxyphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 2557674
4-[(4-fluorophenyl)methylsulfamoyl]-N-(3-methoxypropyl)benzamide
CID 109059819
4-[(4-methoxyphenyl)methylsulfamoyl]-N-(3-methylbutyl)benzamide
CID 109060824
methyl 4-[(4-methoxyphenyl)methylsulfamoyl]benzoate
CID 26527056
N-[(4-fluorophenyl)methyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 87005885
4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 3581074
4-[(4-methoxyphenyl)methylsulfamoyl]benzamide
CID 27186990
4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-(3-propan-2-yloxypropyl)benzamide
CID 20854193

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide (CID 3311699) is N-[(4-fluorophenyl)methyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide is COc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCc3ccc(F)cc3)cc2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide?
The InChIKey is MGXNLEXRLPEJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O4S/c1-29-20-10-12-21(13-11-20)30(27,28)25-15-17-2-6-18(7-3-17)22(26)24-14-16-4-8-19(23)9-5-16/h2-13,25H,14-15H2,1H3,(H,24,26).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide?
N-[(4-fluorophenyl)methyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide has a molecular weight of 428.49 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide is sourced from PubChem (CID 3311699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).