4-fluoro-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzenesulfonamide

C20H18FNO4S — CID 8519475

IUPAC4-fluoro-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(-c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2OC)cc1
InChIInChI=1S/C20H18FNO4S/c1-25-17-8-3-14(4-9-17)19-13-16(7-12-20(19)26-2)22-27(23,24)18-10-5-15(21)6-11-18/h3-13,22H,1-2H3
InChIKeyHMVXUKAGPAOEON-UHFFFAOYSA-N
MW387.43 g/mol
LogP4.31
Rot. Bonds6

About 4-fluoro-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzenesulfonamide

4-fluoro-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzenesulfonamide (PubChem CID 8519475) has the molecular formula C20H18FNO4S and a molecular weight of 387.43 g/mol. Its IUPAC name is 4-fluoro-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzenesulfonamide
PubChem CID8519475
Molecular FormulaC20H18FNO4S
Molecular Weight387.43 g/mol
Exact Mass387.09
IUPAC Name4-fluoro-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(-c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2OC)cc1
InChIInChI=1S/C20H18FNO4S/c1-25-17-8-3-14(4-9-17)19-13-16(7-12-20(19)26-2)22-27(23,24)18-10-5-15(21)6-11-18/h3-13,22H,1-2H3
InChIKeyHMVXUKAGPAOEON-UHFFFAOYSA-N
XLogP4.31
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzenesulfonamide
CID 8519490
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 2290578
N-[3-fluoro-4-(4-methoxyphenoxy)phenyl]-4-methylbenzenesulfonamide
CID 169371317
N-(3-ethyl-4-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 110777211
5-chloro-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]thiophene-2-sulfonamide
CID 8519502
N-(1,3-dioxoisoindol-5-yl)-4-methoxybenzenesulfonamide
CID 1244571
4-fluoro-N-[5-(methanesulfonamido)-2-methoxyphenyl]benzenesulfonamide
CID 8903058
5-fluoro-2-methoxy-N-[4-[5-[(4-methoxyphenyl)sulfonylamino]-1,3-benzoxazol-2-yl]phenyl]benzenesulfonamide
CID 164615909
2-methoxy-5-[(4-methoxyphenyl)sulfonylamino]-N,N-dimethylbenzenesulfonamide
CID 7586511
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-disulfonamide
CID 3106646
4-methoxy-N-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 3876115
4-fluoro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 1451440

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzenesulfonamide (CID 8519475) is 4-fluoro-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzenesulfonamide is COc1ccc(-c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2OC)cc1.
What is the InChIKey of 4-fluoro-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzenesulfonamide?
The InChIKey is HMVXUKAGPAOEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO4S/c1-25-17-8-3-14(4-9-17)19-13-16(7-12-20(19)26-2)22-27(23,24)18-10-5-15(21)6-11-18/h3-13,22H,1-2H3.
What are the key properties of 4-fluoro-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzenesulfonamide?
4-fluoro-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzenesulfonamide has a molecular weight of 387.43 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 8519475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).