3-chloro-N-[2-fluoro-4-[(4-propan-2-ylphenyl)sulfamoyl]phenyl]benzamide

C22H20ClFN2O3S — CID 18892779

IUPAC3-chloro-N-[2-fluoro-4-[(4-propan-2-ylphenyl)sulfamoyl]phenyl]benzamide
SMILESCC(C)c1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)cc1
InChIInChI=1S/C22H20ClFN2O3S/c1-14(2)15-6-8-18(9-7-15)26-30(28,29)19-10-11-21(20(24)13-19)25-22(27)16-4-3-5-17(23)12-16/h3-14,26H,1-2H3,(H,25,27)
InChIKeyNOONRCKKCIRXOW-UHFFFAOYSA-N
MW446.93 g/mol
LogP5.66
Rot. Bonds6

About 3-chloro-N-[2-fluoro-4-[(4-propan-2-ylphenyl)sulfamoyl]phenyl]benzamide

3-chloro-N-[2-fluoro-4-[(4-propan-2-ylphenyl)sulfamoyl]phenyl]benzamide (PubChem CID 18892779) has the molecular formula C22H20ClFN2O3S and a molecular weight of 446.93 g/mol. Its IUPAC name is 3-chloro-N-[2-fluoro-4-[(4-propan-2-ylphenyl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-fluoro-4-[(4-propan-2-ylphenyl)sulfamoyl]phenyl]benzamide
PubChem CID18892779
Molecular FormulaC22H20ClFN2O3S
Molecular Weight446.93 g/mol
Exact Mass446.09
IUPAC Name3-chloro-N-[2-fluoro-4-[(4-propan-2-ylphenyl)sulfamoyl]phenyl]benzamide
SMILESCC(C)c1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)cc1
InChIInChI=1S/C22H20ClFN2O3S/c1-14(2)15-6-8-18(9-7-15)26-30(28,29)19-10-11-21(20(24)13-19)25-22(27)16-4-3-5-17(23)12-16/h3-14,26H,1-2H3,(H,25,27)
InChIKeyNOONRCKKCIRXOW-UHFFFAOYSA-N
XLogP5.66
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.93
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[4-[(3,4-dichlorophenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892799
2,4-dichloro-N-[2-fluoro-4-[(4-propan-2-ylphenyl)sulfamoyl]phenyl]benzamide
CID 18893105
3-chloro-N-[2-fluoro-4-[(2-fluorophenyl)sulfamoyl]phenyl]benzamide
CID 18892781
N-[4-(butan-2-ylsulfamoyl)-2-fluorophenyl]-3-chlorobenzamide
CID 18892739
3-chloro-N-[4-[[4-chloro-2-(trifluoromethyl)phenyl]sulfamoyl]-2-fluorophenyl]benzamide
CID 18892877
3-chloro-N-[4-[(2,3-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892770
N-(4-chloro-2-fluorophenyl)-4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzamide
CID 26696432
4-chloro-N-[4-[(2,6-difluorophenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892640
2,4-dichloro-N-[4-[(3-chlorophenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18893111
4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892610
4-chloro-N-[2-fluoro-4-[(3-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 18892649
3-chloro-N-[2-methoxy-5-(phenylsulfamoyl)phenyl]benzamide
CID 4646574

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-fluoro-4-[(4-propan-2-ylphenyl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 3-chloro-N-[2-fluoro-4-[(4-propan-2-ylphenyl)sulfamoyl]phenyl]benzamide (CID 18892779) is 3-chloro-N-[2-fluoro-4-[(4-propan-2-ylphenyl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-fluoro-4-[(4-propan-2-ylphenyl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-fluoro-4-[(4-propan-2-ylphenyl)sulfamoyl]phenyl]benzamide is CC(C)c1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)cc1.
What is the InChIKey of 3-chloro-N-[2-fluoro-4-[(4-propan-2-ylphenyl)sulfamoyl]phenyl]benzamide?
The InChIKey is NOONRCKKCIRXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN2O3S/c1-14(2)15-6-8-18(9-7-15)26-30(28,29)19-10-11-21(20(24)13-19)25-22(27)16-4-3-5-17(23)12-16/h3-14,26H,1-2H3,(H,25,27).
What are the key properties of 3-chloro-N-[2-fluoro-4-[(4-propan-2-ylphenyl)sulfamoyl]phenyl]benzamide?
3-chloro-N-[2-fluoro-4-[(4-propan-2-ylphenyl)sulfamoyl]phenyl]benzamide has a molecular weight of 446.93 g/mol, XLogP of 5.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-fluoro-4-[(4-propan-2-ylphenyl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 18892779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).