4-(5-chloro-2-methoxyphenyl)benzenesulfonyl fluoride

C13H10ClFO3S — CID 177414477

IUPAC4-(5-chloro-2-methoxyphenyl)benzenesulfonyl fluoride
SMILESCOc1ccc(Cl)cc1-c1ccc(S(=O)(=O)F)cc1
InChIInChI=1S/C13H10ClFO3S/c1-18-13-7-4-10(14)8-12(13)9-2-5-11(6-3-9)19(15,16)17/h2-8H,1H3
InChIKeyCRAMUUTTYMCUDT-UHFFFAOYSA-N
MW300.74 g/mol
LogP3.67
Rot. Bonds3

About 4-(5-chloro-2-methoxyphenyl)benzenesulfonyl fluoride

4-(5-chloro-2-methoxyphenyl)benzenesulfonyl fluoride (PubChem CID 177414477) has the molecular formula C13H10ClFO3S and a molecular weight of 300.74 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxyphenyl)benzenesulfonyl fluoride.

Molecular Properties

Compound Name4-(5-chloro-2-methoxyphenyl)benzenesulfonyl fluoride
PubChem CID177414477
Molecular FormulaC13H10ClFO3S
Molecular Weight300.74 g/mol
Exact Mass300.00
IUPAC Name4-(5-chloro-2-methoxyphenyl)benzenesulfonyl fluoride
SMILESCOc1ccc(Cl)cc1-c1ccc(S(=O)(=O)F)cc1
InChIInChI=1S/C13H10ClFO3S/c1-18-13-7-4-10(14)8-12(13)9-2-5-11(6-3-9)19(15,16)17/h2-8H,1H3
InChIKeyCRAMUUTTYMCUDT-UHFFFAOYSA-N
XLogP3.67
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-chloro-2-methoxyphenyl)-N-methylaniline
CID 116962443
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5-(5-chloro-2-methoxyphenyl)-2-fluorobenzoic acid
CID 53211125
1-[4-(5-chloro-2-methoxyphenyl)phenyl]-N-methylmethanamine
CID 54911854
4-(5-chloro-2-methoxyphenyl)phthalic acid
CID 21072423
N-[3-(4-chlorophenyl)-4-methoxyphenyl]acetamide
CID 10636150
1-(5-chloro-2-methoxyphenyl)-2,3,4,5,6-pentafluorobenzene
CID 134629660
1,4-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene
CID 119008746
4-[2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide
CID 10808251
N-[3-(4-chloro-3-fluorophenyl)-4-methoxyphenyl]methanesulfonamide
CID 68620057
4-fluoro-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzenesulfonamide
CID 8519475
5-chloro-2-methoxybenzoate
CID 6933314

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxyphenyl)benzenesulfonyl fluoride?
The IUPAC name of 4-(5-chloro-2-methoxyphenyl)benzenesulfonyl fluoride (CID 177414477) is 4-(5-chloro-2-methoxyphenyl)benzenesulfonyl fluoride.
What is the SMILES notation for 4-(5-chloro-2-methoxyphenyl)benzenesulfonyl fluoride?
The canonical SMILES for 4-(5-chloro-2-methoxyphenyl)benzenesulfonyl fluoride is COc1ccc(Cl)cc1-c1ccc(S(=O)(=O)F)cc1.
What is the InChIKey of 4-(5-chloro-2-methoxyphenyl)benzenesulfonyl fluoride?
The InChIKey is CRAMUUTTYMCUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFO3S/c1-18-13-7-4-10(14)8-12(13)9-2-5-11(6-3-9)19(15,16)17/h2-8H,1H3.
What are the key properties of 4-(5-chloro-2-methoxyphenyl)benzenesulfonyl fluoride?
4-(5-chloro-2-methoxyphenyl)benzenesulfonyl fluoride has a molecular weight of 300.74 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxyphenyl)benzenesulfonyl fluoride is sourced from PubChem (CID 177414477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).