N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide

C20H19FN2O6S2 — CID 2290578

IUPACN-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1OC
InChIInChI=1S/C20H19FN2O6S2/c1-28-19-12-11-18(13-20(19)29-2)31(26,27)23-16-7-9-17(10-8-16)30(24,25)22-15-5-3-14(21)4-6-15/h3-13,22-23H,1-2H3
InChIKeyXNFIKIYHJDRICY-UHFFFAOYSA-N
MW466.51 g/mol
LogP3.44
Rot. Bonds8

About N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide

N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide (PubChem CID 2290578) has the molecular formula C20H19FN2O6S2 and a molecular weight of 466.51 g/mol. Its IUPAC name is N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
PubChem CID2290578
Molecular FormulaC20H19FN2O6S2
Molecular Weight466.51 g/mol
Exact Mass466.07
IUPAC NameN-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1OC
InChIInChI=1S/C20H19FN2O6S2/c1-28-19-12-11-18(13-20(19)29-2)31(26,27)23-16-7-9-17(10-8-16)30(24,25)22-15-5-3-14(21)4-6-15/h3-13,22-23H,1-2H3
InChIKeyXNFIKIYHJDRICY-UHFFFAOYSA-N
XLogP3.44
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.51
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 3801791
3,4-dimethoxy-N-[4-(4-methylanilino)phenyl]benzenesulfonamide
CID 112986058
N-(3,5-dimethylphenyl)-3,4-dimethoxybenzenesulfonamide
CID 4828069
3,4-dimethoxy-N-[4-(3-methylbutylamino)phenyl]benzenesulfonamide
CID 112985152
3,4-dimethoxy-N-[4-(3-methoxypropylamino)phenyl]benzenesulfonamide
CID 112981118
N-(4-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 19109264
4-fluoro-N-[5-(methanesulfonamido)-2-methoxyphenyl]benzenesulfonamide
CID 8903058
3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzenesulfonamide
CID 112980172
4-fluoro-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzenesulfonamide
CID 8519475
N-[4-[3-(dimethylamino)propylamino]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 112981589
3,4-dimethoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43532732
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3,4-dimethoxybenzenesulfonamide
CID 22202053

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide (CID 2290578) is N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1OC.
What is the InChIKey of N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide?
The InChIKey is XNFIKIYHJDRICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O6S2/c1-28-19-12-11-18(13-20(19)29-2)31(26,27)23-16-7-9-17(10-8-16)30(24,25)22-15-5-3-14(21)4-6-15/h3-13,22-23H,1-2H3.
What are the key properties of N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide?
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide has a molecular weight of 466.51 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 2290578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).