N-(3-chloro-4-methoxyphenyl)-4-(difluoromethylsulfanyl)benzamide

C15H12ClF2NO2S — CID 24616144

IUPACN-(3-chloro-4-methoxyphenyl)-4-(difluoromethylsulfanyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(SC(F)F)cc2)cc1Cl
InChIInChI=1S/C15H12ClF2NO2S/c1-21-13-7-4-10(8-12(13)16)19-14(20)9-2-5-11(6-3-9)22-15(17)18/h2-8,15H,1H3,(H,19,20)
InChIKeyPWTDGUVTIAOQKR-UHFFFAOYSA-N
MW343.78 g/mol
LogP4.92
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-4-(difluoromethylsulfanyl)benzamide

N-(3-chloro-4-methoxyphenyl)-4-(difluoromethylsulfanyl)benzamide (PubChem CID 24616144) has the molecular formula C15H12ClF2NO2S and a molecular weight of 343.78 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-4-(difluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-4-(difluoromethylsulfanyl)benzamide
PubChem CID24616144
Molecular FormulaC15H12ClF2NO2S
Molecular Weight343.78 g/mol
Exact Mass343.02
IUPAC NameN-(3-chloro-4-methoxyphenyl)-4-(difluoromethylsulfanyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(SC(F)F)cc2)cc1Cl
InChIInChI=1S/C15H12ClF2NO2S/c1-21-13-7-4-10(8-12(13)16)19-14(20)9-2-5-11(6-3-9)22-15(17)18/h2-8,15H,1H3,(H,19,20)
InChIKeyPWTDGUVTIAOQKR-UHFFFAOYSA-N
XLogP4.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.78
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-4-propan-2-ylbenzamide
CID 1406499
3-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-4-ethoxy-5-methoxybenzamide
CID 26908340
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
N-[4-(difluoromethylsulfanyl)phenyl]-4-ethoxy-3-methoxybenzamide
CID 26908446
N-[4-(difluoromethylsulfanyl)phenyl]-3,4,5-trimethoxybenzamide
CID 4024378
N-(3-chloro-4-methoxyphenyl)-4-ethylbenzamide
CID 2540642
4-N-(3-chloro-4-methoxyphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043950
1-N-(3-chloro-4-methoxyphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049860
4-N-(3-chloro-4-methoxyphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
CID 109043380
4-bromo-3-chloro-N-(3-chloro-4-methoxyphenyl)benzamide
CID 81307448
4-(difluoromethylsulfanyl)-N-(6-methoxy-3-pyridinyl)benzamide
CID 42030650
N-(3-bromo-4-methoxyphenyl)-3-chloro-4-methoxybenzamide
CID 3529705

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-(difluoromethylsulfanyl)benzamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-(difluoromethylsulfanyl)benzamide (CID 24616144) is N-(3-chloro-4-methoxyphenyl)-4-(difluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-4-(difluoromethylsulfanyl)benzamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-4-(difluoromethylsulfanyl)benzamide is COc1ccc(NC(=O)c2ccc(SC(F)F)cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-4-(difluoromethylsulfanyl)benzamide?
The InChIKey is PWTDGUVTIAOQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2NO2S/c1-21-13-7-4-10(8-12(13)16)19-14(20)9-2-5-11(6-3-9)22-15(17)18/h2-8,15H,1H3,(H,19,20).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-4-(difluoromethylsulfanyl)benzamide?
N-(3-chloro-4-methoxyphenyl)-4-(difluoromethylsulfanyl)benzamide has a molecular weight of 343.78 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-4-(difluoromethylsulfanyl)benzamide is sourced from PubChem (CID 24616144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).