N-[(4-fluorophenyl)methyl]-3-methoxy-N-(3-methoxyphenyl)benzenesulfonamide

C21H20FNO4S — CID 42841956

IUPACN-[(4-fluorophenyl)methyl]-3-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
SMILESCOc1cccc(N(Cc2ccc(F)cc2)S(=O)(=O)c2cccc(OC)c2)c1
InChIInChI=1S/C21H20FNO4S/c1-26-19-6-3-5-18(13-19)23(15-16-9-11-17(22)12-10-16)28(24,25)21-8-4-7-20(14-21)27-2/h3-14H,15H2,1-2H3
InChIKeyBBFRUNMEAFMDCY-UHFFFAOYSA-N
MW401.46 g/mol
LogP4.24
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-3-methoxy-N-(3-methoxyphenyl)benzenesulfonamide

N-[(4-fluorophenyl)methyl]-3-methoxy-N-(3-methoxyphenyl)benzenesulfonamide (PubChem CID 42841956) has the molecular formula C21H20FNO4S and a molecular weight of 401.46 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-methoxy-N-(3-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
PubChem CID42841956
Molecular FormulaC21H20FNO4S
Molecular Weight401.46 g/mol
Exact Mass401.11
IUPAC NameN-[(4-fluorophenyl)methyl]-3-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
SMILESCOc1cccc(N(Cc2ccc(F)cc2)S(=O)(=O)c2cccc(OC)c2)c1
InChIInChI=1S/C21H20FNO4S/c1-26-19-6-3-5-18(13-19)23(15-16-9-11-17(22)12-10-16)28(24,25)21-8-4-7-20(14-21)27-2/h3-14H,15H2,1-2H3
InChIKeyBBFRUNMEAFMDCY-UHFFFAOYSA-N
XLogP4.24
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-3-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 42841886
N-[(3,5-dimethoxyphenyl)methyl]-3-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 46022969
N-benzyl-N-(3-methoxyphenyl)benzenesulfonamide
CID 24718071
4-fluoro-N-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 42841605
N-(3-bromophenyl)-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 46023029
N-[(3-fluorophenyl)methyl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 46022383
N-[(3,5-dimethoxyphenyl)methyl]-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 46021868
N-[(2,4-difluorophenyl)methyl]-3-methoxy-N-phenylbenzenesulfonamide
CID 46022863
N-(3-fluoro-4-methylphenyl)-N-[(3-fluorophenyl)methyl]-3-methoxybenzenesulfonamide
CID 46022930
3-chloro-4-fluoro-N-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 46023293
N-(3-fluorophenyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 46152490
N-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-3-nitrobenzenesulfonamide
CID 46022695

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-methoxy-N-(3-methoxyphenyl)benzenesulfonamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-methoxy-N-(3-methoxyphenyl)benzenesulfonamide (CID 42841956) is N-[(4-fluorophenyl)methyl]-3-methoxy-N-(3-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-methoxy-N-(3-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-methoxy-N-(3-methoxyphenyl)benzenesulfonamide is COc1cccc(N(Cc2ccc(F)cc2)S(=O)(=O)c2cccc(OC)c2)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-methoxy-N-(3-methoxyphenyl)benzenesulfonamide?
The InChIKey is BBFRUNMEAFMDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO4S/c1-26-19-6-3-5-18(13-19)23(15-16-9-11-17(22)12-10-16)28(24,25)21-8-4-7-20(14-21)27-2/h3-14H,15H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-3-methoxy-N-(3-methoxyphenyl)benzenesulfonamide?
N-[(4-fluorophenyl)methyl]-3-methoxy-N-(3-methoxyphenyl)benzenesulfonamide has a molecular weight of 401.46 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-methoxy-N-(3-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 42841956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).