N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-4-methylbenzenesulfonamide

C19H22FNO4S — CID 91782344

IUPACN-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(C(NS(=O)(=O)c2ccc(C)cc2)C2CC(O)C2)cc1F
InChIInChI=1S/C19H22FNO4S/c1-12-3-6-16(7-4-12)26(23,24)21-19(14-9-15(22)10-14)13-5-8-18(25-2)17(20)11-13/h3-8,11,14-15,19,21-22H,9-10H2,1-2H3
InChIKeyXBASCGPLRQQFPJ-UHFFFAOYSA-N
MW379.45 g/mol
LogP2.93
Rot. Bonds6

About N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-4-methylbenzenesulfonamide

N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-4-methylbenzenesulfonamide (PubChem CID 91782344) has the molecular formula C19H22FNO4S and a molecular weight of 379.45 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-4-methylbenzenesulfonamide
PubChem CID91782344
Molecular FormulaC19H22FNO4S
Molecular Weight379.45 g/mol
Exact Mass379.13
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(C(NS(=O)(=O)c2ccc(C)cc2)C2CC(O)C2)cc1F
InChIInChI=1S/C19H22FNO4S/c1-12-3-6-16(7-4-12)26(23,24)21-19(14-9-15(22)10-14)13-5-8-18(25-2)17(20)11-13/h3-8,11,14-15,19,21-22H,9-10H2,1-2H3
InChIKeyXBASCGPLRQQFPJ-UHFFFAOYSA-N
XLogP2.93
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 18097055
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-methylbenzenesulfonamide
CID 91786796
N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-3-methylsulfanylpropanamide
CID 91770108
4-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzene-1,4-disulfonamide
CID 46633618
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 18097068
2-(3,5-dimethylpyrazolidin-4-yl)-N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]acetamide
CID 133264938
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-nitrobenzenesulfonamide
CID 18097036
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(methanesulfonamido)benzenesulfonamide
CID 47084855
N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-2-(methylamino)pyrimidine-5-carboxamide
CID 91769864
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 46778206
2-bromo-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 46567252
N-[1-(4-methoxy-3-methylphenyl)propyl]-4-methylbenzenesulfonamide
CID 133160247

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-4-methylbenzenesulfonamide (CID 91782344) is N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-4-methylbenzenesulfonamide is COc1ccc(C(NS(=O)(=O)c2ccc(C)cc2)C2CC(O)C2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is XBASCGPLRQQFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO4S/c1-12-3-6-16(7-4-12)26(23,24)21-19(14-9-15(22)10-14)13-5-8-18(25-2)17(20)11-13/h3-8,11,14-15,19,21-22H,9-10H2,1-2H3.
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-4-methylbenzenesulfonamide?
N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-4-methylbenzenesulfonamide has a molecular weight of 379.45 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 91782344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).