4-(benzenesulfonamido)-N-[(4-fluorophenyl)methyl]-3-methylbenzamide

C21H19FN2O3S — CID 30391889

IUPAC4-(benzenesulfonamido)-N-[(4-fluorophenyl)methyl]-3-methylbenzamide
SMILESCc1cc(C(=O)NCc2ccc(F)cc2)ccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C21H19FN2O3S/c1-15-13-17(21(25)23-14-16-7-10-18(22)11-8-16)9-12-20(15)24-28(26,27)19-5-3-2-4-6-19/h2-13,24H,14H2,1H3,(H,23,25)
InChIKeyAAIIEQMQZOZGOY-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.86
Rot. Bonds6

About 4-(benzenesulfonamido)-N-[(4-fluorophenyl)methyl]-3-methylbenzamide

4-(benzenesulfonamido)-N-[(4-fluorophenyl)methyl]-3-methylbenzamide (PubChem CID 30391889) has the molecular formula C21H19FN2O3S and a molecular weight of 398.46 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-[(4-fluorophenyl)methyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-[(4-fluorophenyl)methyl]-3-methylbenzamide
PubChem CID30391889
Molecular FormulaC21H19FN2O3S
Molecular Weight398.46 g/mol
Exact Mass398.11
IUPAC Name4-(benzenesulfonamido)-N-[(4-fluorophenyl)methyl]-3-methylbenzamide
SMILESCc1cc(C(=O)NCc2ccc(F)cc2)ccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C21H19FN2O3S/c1-15-13-17(21(25)23-14-16-7-10-18(22)11-8-16)9-12-20(15)24-28(26,27)19-5-3-2-4-6-19/h2-13,24H,14H2,1H3,(H,23,25)
InChIKeyAAIIEQMQZOZGOY-UHFFFAOYSA-N
XLogP3.86
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(benzenesulfonamido)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 19062739
N-benzyl-4-chloro-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 27670254
N-[(4-fluorophenyl)methyl]-3-methyl-4-(methylamino)benzamide
CID 63210456
N-[(4-methoxyphenyl)methyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062773
N-[(4-fluorophenyl)methyl]-4-methyl-3-(phenylsulfamoyl)benzamide
CID 46764508
N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 6470682
4-[(4-fluorophenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 26850932
N-[(3,5-difluorophenyl)methyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 37391318
N-[(4-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 26796224
4-(benzenesulfonamido)-N,3-dimethyl-N-[(4-methylphenyl)methyl]benzamide
CID 92671538
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 26447459
N-benzyl-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 2329574

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-[(4-fluorophenyl)methyl]-3-methylbenzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-[(4-fluorophenyl)methyl]-3-methylbenzamide (CID 30391889) is 4-(benzenesulfonamido)-N-[(4-fluorophenyl)methyl]-3-methylbenzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-[(4-fluorophenyl)methyl]-3-methylbenzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-[(4-fluorophenyl)methyl]-3-methylbenzamide is Cc1cc(C(=O)NCc2ccc(F)cc2)ccc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of 4-(benzenesulfonamido)-N-[(4-fluorophenyl)methyl]-3-methylbenzamide?
The InChIKey is AAIIEQMQZOZGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3S/c1-15-13-17(21(25)23-14-16-7-10-18(22)11-8-16)9-12-20(15)24-28(26,27)19-5-3-2-4-6-19/h2-13,24H,14H2,1H3,(H,23,25).
What are the key properties of 4-(benzenesulfonamido)-N-[(4-fluorophenyl)methyl]-3-methylbenzamide?
4-(benzenesulfonamido)-N-[(4-fluorophenyl)methyl]-3-methylbenzamide has a molecular weight of 398.46 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-[(4-fluorophenyl)methyl]-3-methylbenzamide is sourced from PubChem (CID 30391889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).