4-(benzenesulfonamido)-2-chloro-N-[(4-fluorophenyl)methyl]benzamide

C20H16ClFN2O3S — CID 99956396

IUPAC4-(benzenesulfonamido)-2-chloro-N-[(4-fluorophenyl)methyl]benzamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C20H16ClFN2O3S/c21-19-12-16(24-28(26,27)17-4-2-1-3-5-17)10-11-18(19)20(25)23-13-14-6-8-15(22)9-7-14/h1-12,24H,13H2,(H,23,25)
InChIKeyOELDVNGUNIXZER-UHFFFAOYSA-N
MW418.88 g/mol
LogP4.21
Rot. Bonds6

About 4-(benzenesulfonamido)-2-chloro-N-[(4-fluorophenyl)methyl]benzamide

4-(benzenesulfonamido)-2-chloro-N-[(4-fluorophenyl)methyl]benzamide (PubChem CID 99956396) has the molecular formula C20H16ClFN2O3S and a molecular weight of 418.88 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-2-chloro-N-[(4-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-2-chloro-N-[(4-fluorophenyl)methyl]benzamide
PubChem CID99956396
Molecular FormulaC20H16ClFN2O3S
Molecular Weight418.88 g/mol
Exact Mass418.06
IUPAC Name4-(benzenesulfonamido)-2-chloro-N-[(4-fluorophenyl)methyl]benzamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C20H16ClFN2O3S/c21-19-12-16(24-28(26,27)17-4-2-1-3-5-17)10-11-18(19)20(25)23-13-14-6-8-15(22)9-7-14/h1-12,24H,13H2,(H,23,25)
InChIKeyOELDVNGUNIXZER-UHFFFAOYSA-N
XLogP4.21
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(benzylcarbamoyl)phenyl]-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46778797
N-benzyl-4-chloro-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 27670254
4-(benzenesulfonamido)-2-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 99942022
4-(benzenesulfonamido)-2-chloro-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide
CID 92679565
4-(benzenesulfonamido)-2-chloro-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 46772538
4-(benzenesulfonamido)-2-chloro-N-[2-(trifluoromethyl)phenyl]benzamide
CID 92680505
4-(benzenesulfonamido)-2-chloro-N-(4-methylphenyl)benzamide
CID 43910172
4-[4-(benzenesulfonamido)-2-[(4-fluorophenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 42679047
4-(benzenesulfonamido)-2-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 92677411
2-chloro-N-[(2-fluorophenyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]benzamide
CID 27163581
4-(benzenesulfonamido)-2-chloro-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 93486708
4-(benzenesulfonamido)-2-chloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzamide
CID 46762901

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-2-chloro-N-[(4-fluorophenyl)methyl]benzamide?
The IUPAC name of 4-(benzenesulfonamido)-2-chloro-N-[(4-fluorophenyl)methyl]benzamide (CID 99956396) is 4-(benzenesulfonamido)-2-chloro-N-[(4-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-2-chloro-N-[(4-fluorophenyl)methyl]benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-2-chloro-N-[(4-fluorophenyl)methyl]benzamide is O=C(NCc1ccc(F)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl.
What is the InChIKey of 4-(benzenesulfonamido)-2-chloro-N-[(4-fluorophenyl)methyl]benzamide?
The InChIKey is OELDVNGUNIXZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2O3S/c21-19-12-16(24-28(26,27)17-4-2-1-3-5-17)10-11-18(19)20(25)23-13-14-6-8-15(22)9-7-14/h1-12,24H,13H2,(H,23,25).
What are the key properties of 4-(benzenesulfonamido)-2-chloro-N-[(4-fluorophenyl)methyl]benzamide?
4-(benzenesulfonamido)-2-chloro-N-[(4-fluorophenyl)methyl]benzamide has a molecular weight of 418.88 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-2-chloro-N-[(4-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 99956396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).