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

C19H22ClFN2O4S — CID 18892698

IUPAC4-chloro-N-[2-fluoro-4-(3-propan-2-yloxypropylsulfamoyl)phenyl]benzamide
SMILESCC(C)OCCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C19H22ClFN2O4S/c1-13(2)27-11-3-10-22-28(25,26)16-8-9-18(17(21)12-16)23-19(24)14-4-6-15(20)7-5-14/h4-9,12-13,22H,3,10-11H2,1-2H3,(H,23,24)
InChIKeySZGPMBXULVHTHW-UHFFFAOYSA-N
MW428.91 g/mol
LogP3.82
Rot. Bonds9

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

4-chloro-N-[2-fluoro-4-(3-propan-2-yloxypropylsulfamoyl)phenyl]benzamide (PubChem CID 18892698) has the molecular formula C19H22ClFN2O4S and a molecular weight of 428.91 g/mol. Its IUPAC name is 4-chloro-N-[2-fluoro-4-(3-propan-2-yloxypropylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-fluoro-4-(3-propan-2-yloxypropylsulfamoyl)phenyl]benzamide
PubChem CID18892698
Molecular FormulaC19H22ClFN2O4S
Molecular Weight428.91 g/mol
Exact Mass428.10
IUPAC Name4-chloro-N-[2-fluoro-4-(3-propan-2-yloxypropylsulfamoyl)phenyl]benzamide
SMILESCC(C)OCCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C19H22ClFN2O4S/c1-13(2)27-11-3-10-22-28(25,26)16-8-9-18(17(21)12-16)23-19(24)14-4-6-15(20)7-5-14/h4-9,12-13,22H,3,10-11H2,1-2H3,(H,23,24)
InChIKeySZGPMBXULVHTHW-UHFFFAOYSA-N
XLogP3.82
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.91
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-difluorophenyl)-4-(3-methoxypropylsulfamoyl)benzamide
CID 109059952
N-(4-chloro-2-fluorophenyl)-4-(ethylsulfamoyl)benzamide
CID 9211461
4-chloro-N-[4-[(2-chlorophenyl)methylsulfamoyl]-2-fluorophenyl]benzamide
CID 18892590
4-chloro-N-[2-fluoro-4-(pyridin-4-ylmethylsulfamoyl)phenyl]benzamide
CID 18892602
4-chloro-N-[4-[(2,6-difluorophenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892640
2,4-dichloro-N-[2-fluoro-4-(2-methoxyethylsulfamoyl)phenyl]benzamide
CID 18893075
4-fluoro-3-(hydroxymethyl)-N-(4-propan-2-yloxybutyl)benzenesulfonamide
CID 106014466
4-chloro-N-[4-[(2,5-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892609
4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892610
2-chloro-N-[2-fluoro-4-(3-methylbutylsulfamoyl)phenyl]benzamide
CID 18893027
N-(4-chloro-2-methylphenyl)-4-(3-methylbutylsulfamoyl)benzamide
CID 109061303
4-chloro-N-[4-(cyclopentylsulfamoyl)-2-fluorophenyl]benzamide
CID 18892580

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-fluoro-4-(3-propan-2-yloxypropylsulfamoyl)phenyl]benzamide?
The IUPAC name of 4-chloro-N-[2-fluoro-4-(3-propan-2-yloxypropylsulfamoyl)phenyl]benzamide (CID 18892698) is 4-chloro-N-[2-fluoro-4-(3-propan-2-yloxypropylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-fluoro-4-(3-propan-2-yloxypropylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-fluoro-4-(3-propan-2-yloxypropylsulfamoyl)phenyl]benzamide is CC(C)OCCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(F)c1.
What is the InChIKey of 4-chloro-N-[2-fluoro-4-(3-propan-2-yloxypropylsulfamoyl)phenyl]benzamide?
The InChIKey is SZGPMBXULVHTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2O4S/c1-13(2)27-11-3-10-22-28(25,26)16-8-9-18(17(21)12-16)23-19(24)14-4-6-15(20)7-5-14/h4-9,12-13,22H,3,10-11H2,1-2H3,(H,23,24).
What are the key properties of 4-chloro-N-[2-fluoro-4-(3-propan-2-yloxypropylsulfamoyl)phenyl]benzamide?
4-chloro-N-[2-fluoro-4-(3-propan-2-yloxypropylsulfamoyl)phenyl]benzamide has a molecular weight of 428.91 g/mol, XLogP of 3.82, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-fluoro-4-(3-propan-2-yloxypropylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 18892698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).