N-(2,4-difluorophenyl)-4-(3-methoxypropylsulfamoyl)benzamide

C17H18F2N2O4S — CID 109059952

IUPACN-(2,4-difluorophenyl)-4-(3-methoxypropylsulfamoyl)benzamide
SMILESCOCCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C17H18F2N2O4S/c1-25-10-2-9-20-26(23,24)14-6-3-12(4-7-14)17(22)21-16-8-5-13(18)11-15(16)19/h3-8,11,20H,2,9-10H2,1H3,(H,21,22)
InChIKeyGZHUXXKRSDGDNK-UHFFFAOYSA-N
MW384.40 g/mol
LogP2.53
Rot. Bonds8

About N-(2,4-difluorophenyl)-4-(3-methoxypropylsulfamoyl)benzamide

N-(2,4-difluorophenyl)-4-(3-methoxypropylsulfamoyl)benzamide (PubChem CID 109059952) has the molecular formula C17H18F2N2O4S and a molecular weight of 384.40 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-(3-methoxypropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-(3-methoxypropylsulfamoyl)benzamide
PubChem CID109059952
Molecular FormulaC17H18F2N2O4S
Molecular Weight384.40 g/mol
Exact Mass384.10
IUPAC NameN-(2,4-difluorophenyl)-4-(3-methoxypropylsulfamoyl)benzamide
SMILESCOCCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C17H18F2N2O4S/c1-25-10-2-9-20-26(23,24)14-6-3-12(4-7-14)17(22)21-16-8-5-13(18)11-15(16)19/h3-8,11,20H,2,9-10H2,1H3,(H,21,22)
InChIKeyGZHUXXKRSDGDNK-UHFFFAOYSA-N
XLogP2.53
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 52.53
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

4-chloro-N-[2-fluoro-4-(3-propan-2-yloxypropylsulfamoyl)phenyl]benzamide
CID 18892698
N-(3-chloro-2-methylphenyl)-4-(3-methoxypropylsulfamoyl)benzamide
CID 109059936
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
N-(2,4-difluorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7553514
N-(2,4-difluorophenyl)-4-propan-2-ylsulfonylbenzamide
CID 41148674
N-(4-chloro-2-fluorophenyl)-4-(ethylsulfamoyl)benzamide
CID 9211461
4-[(4-fluorophenyl)methylsulfamoyl]-N-(3-methoxypropyl)benzamide
CID 109059819
N-(3-fluoro-4-methylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 17455377
4-fluoro-N-[2-fluoro-4-[(2-methoxyphenyl)methylsulfamoyl]phenyl]benzamide
CID 18893514
N-(2,4-difluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide
CID 27005483
N-(5-fluoro-2-methylphenyl)-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 9211744
N-(2,4-difluorophenyl)-4-ethylbenzamide
CID 2478391

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-(3-methoxypropylsulfamoyl)benzamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-(3-methoxypropylsulfamoyl)benzamide (CID 109059952) is N-(2,4-difluorophenyl)-4-(3-methoxypropylsulfamoyl)benzamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-(3-methoxypropylsulfamoyl)benzamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-(3-methoxypropylsulfamoyl)benzamide is COCCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2F)cc1.
What is the InChIKey of N-(2,4-difluorophenyl)-4-(3-methoxypropylsulfamoyl)benzamide?
The InChIKey is GZHUXXKRSDGDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O4S/c1-25-10-2-9-20-26(23,24)14-6-3-12(4-7-14)17(22)21-16-8-5-13(18)11-15(16)19/h3-8,11,20H,2,9-10H2,1H3,(H,21,22).
What are the key properties of N-(2,4-difluorophenyl)-4-(3-methoxypropylsulfamoyl)benzamide?
N-(2,4-difluorophenyl)-4-(3-methoxypropylsulfamoyl)benzamide has a molecular weight of 384.40 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-(3-methoxypropylsulfamoyl)benzamide is sourced from PubChem (CID 109059952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).