N-(4-fluoro-3-methylphenyl)-2,4-dimethoxybenzenesulfonamide

C15H16FNO4S — CID 110776380

IUPACN-(4-fluoro-3-methylphenyl)-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(F)c(C)c2)c(OC)c1
InChIInChI=1S/C15H16FNO4S/c1-10-8-11(4-6-13(10)16)17-22(18,19)15-7-5-12(20-2)9-14(15)21-3/h4-9,17H,1-3H3
InChIKeyAJWJYOYOXNFCRG-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.95
Rot. Bonds5

About N-(4-fluoro-3-methylphenyl)-2,4-dimethoxybenzenesulfonamide

N-(4-fluoro-3-methylphenyl)-2,4-dimethoxybenzenesulfonamide (PubChem CID 110776380) has the molecular formula C15H16FNO4S and a molecular weight of 325.36 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-2,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-2,4-dimethoxybenzenesulfonamide
PubChem CID110776380
Molecular FormulaC15H16FNO4S
Molecular Weight325.36 g/mol
Exact Mass325.08
IUPAC NameN-(4-fluoro-3-methylphenyl)-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(F)c(C)c2)c(OC)c1
InChIInChI=1S/C15H16FNO4S/c1-10-8-11(4-6-13(10)16)17-22(18,19)15-7-5-12(20-2)9-14(15)21-3/h4-9,17H,1-3H3
InChIKeyAJWJYOYOXNFCRG-UHFFFAOYSA-N
XLogP2.95
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 19683549
N-(3,4-difluorophenyl)-2,4-dimethoxybenzenesulfonamide
CID 22773465
2,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 22774026
4-methoxy-N-(4-methoxy-3-methylphenyl)-2-methylbenzenesulfonamide
CID 110776438
2,4-dimethoxy-N-[4-(propylamino)phenyl]benzenesulfonamide
CID 112979777
2,4-dimethoxy-N-(3-methylphenyl)benzenesulfonamide
CID 22773637
N-(4-aminophenyl)-2,4-dimethoxybenzenesulfonamide
CID 43602608
N-(5-chloro-2-methylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 22775089
N-[4-[(2,4-dimethoxyphenyl)sulfonylamino]phenyl]acetamide
CID 22774828
N-(1,3-benzodioxol-5-yl)-2,4-dimethoxybenzenesulfonamide
CID 22774071
2-amino-N-(4-fluoro-3-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 62809296
N-(3,4-difluorophenyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 18148015

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-2,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-2,4-dimethoxybenzenesulfonamide (CID 110776380) is N-(4-fluoro-3-methylphenyl)-2,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-2,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-2,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(F)c(C)c2)c(OC)c1.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-2,4-dimethoxybenzenesulfonamide?
The InChIKey is AJWJYOYOXNFCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO4S/c1-10-8-11(4-6-13(10)16)17-22(18,19)15-7-5-12(20-2)9-14(15)21-3/h4-9,17H,1-3H3.
What are the key properties of N-(4-fluoro-3-methylphenyl)-2,4-dimethoxybenzenesulfonamide?
N-(4-fluoro-3-methylphenyl)-2,4-dimethoxybenzenesulfonamide has a molecular weight of 325.36 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)-2,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 110776380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).