3-fluoro-5-[(4-fluorophenyl)carbamoyl]-4-methoxybenzenesulfonyl chloride

C14H10ClF2NO4S — CID 146256054

IUPAC3-fluoro-5-[(4-fluorophenyl)carbamoyl]-4-methoxybenzenesulfonyl chloride
SMILESCOc1c(F)cc(S(=O)(=O)Cl)cc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H10ClF2NO4S/c1-22-13-11(6-10(7-12(13)17)23(15,20)21)14(19)18-9-4-2-8(16)3-5-9/h2-7H,1H3,(H,18,19)
InChIKeyVADVXZYEOPQASP-UHFFFAOYSA-N
MW361.75 g/mol
LogP3.15
Rot. Bonds4

About 3-fluoro-5-[(4-fluorophenyl)carbamoyl]-4-methoxybenzenesulfonyl chloride

3-fluoro-5-[(4-fluorophenyl)carbamoyl]-4-methoxybenzenesulfonyl chloride (PubChem CID 146256054) has the molecular formula C14H10ClF2NO4S and a molecular weight of 361.75 g/mol. Its IUPAC name is 3-fluoro-5-[(4-fluorophenyl)carbamoyl]-4-methoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name3-fluoro-5-[(4-fluorophenyl)carbamoyl]-4-methoxybenzenesulfonyl chloride
PubChem CID146256054
Molecular FormulaC14H10ClF2NO4S
Molecular Weight361.75 g/mol
Exact Mass361.00
IUPAC Name3-fluoro-5-[(4-fluorophenyl)carbamoyl]-4-methoxybenzenesulfonyl chloride
SMILESCOc1c(F)cc(S(=O)(=O)Cl)cc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H10ClF2NO4S/c1-22-13-11(6-10(7-12(13)17)23(15,20)21)14(19)18-9-4-2-8(16)3-5-9/h2-7H,1H3,(H,18,19)
InChIKeyVADVXZYEOPQASP-UHFFFAOYSA-N
XLogP3.15
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.75
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-(4-fluorophenyl)-2-methoxybenzamide
CID 175986233
3-bromo-N-(4-fluorophenyl)-2,5-dimethoxybenzamide
CID 24640379
5-(ethylsulfamoyl)-N-(4-fluorophenyl)-2-methoxybenzamide
CID 19257861
4-[(2-chloro-4-fluorobenzoyl)amino]benzenesulfonyl chloride
CID 43096347
4-[(2-bromo-5-fluorobenzoyl)amino]benzenesulfonyl chloride
CID 43102869
N-(4-fluorophenyl)-1-methoxynaphthalene-2-carboxamide
CID 141440290
4-[(4-bromo-2-fluorobenzoyl)amino]benzenesulfonyl chloride
CID 43100929
3,5-dibromo-N-[4-[(3,5-dibromo-2-methoxybenzoyl)amino]phenyl]-2-methoxybenzamide
CID 5142163
2-fluoro-N-(4-fluorophenyl)-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide
CID 4096626
2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 2332788
4-chloro-2-fluoro-N-(4-fluorophenyl)benzamide
CID 26687726
5-[(2S)-3-amino-2-methyl-3-oxopropyl]sulfonyl-N-(4-fluorophenyl)-2-methoxybenzamide
CID 157454354

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[(4-fluorophenyl)carbamoyl]-4-methoxybenzenesulfonyl chloride?
The IUPAC name of 3-fluoro-5-[(4-fluorophenyl)carbamoyl]-4-methoxybenzenesulfonyl chloride (CID 146256054) is 3-fluoro-5-[(4-fluorophenyl)carbamoyl]-4-methoxybenzenesulfonyl chloride.
What is the SMILES notation for 3-fluoro-5-[(4-fluorophenyl)carbamoyl]-4-methoxybenzenesulfonyl chloride?
The canonical SMILES for 3-fluoro-5-[(4-fluorophenyl)carbamoyl]-4-methoxybenzenesulfonyl chloride is COc1c(F)cc(S(=O)(=O)Cl)cc1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 3-fluoro-5-[(4-fluorophenyl)carbamoyl]-4-methoxybenzenesulfonyl chloride?
The InChIKey is VADVXZYEOPQASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2NO4S/c1-22-13-11(6-10(7-12(13)17)23(15,20)21)14(19)18-9-4-2-8(16)3-5-9/h2-7H,1H3,(H,18,19).
What are the key properties of 3-fluoro-5-[(4-fluorophenyl)carbamoyl]-4-methoxybenzenesulfonyl chloride?
3-fluoro-5-[(4-fluorophenyl)carbamoyl]-4-methoxybenzenesulfonyl chloride has a molecular weight of 361.75 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[(4-fluorophenyl)carbamoyl]-4-methoxybenzenesulfonyl chloride is sourced from PubChem (CID 146256054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).