N-(3,5-difluoro-4-propan-2-yloxyphenyl)-4-methylbenzenesulfonamide

C16H17F2NO3S — CID 169372950

IUPACN-(3,5-difluoro-4-propan-2-yloxyphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(F)c(OC(C)C)c(F)c2)cc1
InChIInChI=1S/C16H17F2NO3S/c1-10(2)22-16-14(17)8-12(9-15(16)18)19-23(20,21)13-6-4-11(3)5-7-13/h4-10,19H,1-3H3
InChIKeyWZWXKIAHQLYPDW-UHFFFAOYSA-N
MW341.38 g/mol
LogP3.86
Rot. Bonds5

About N-(3,5-difluoro-4-propan-2-yloxyphenyl)-4-methylbenzenesulfonamide

N-(3,5-difluoro-4-propan-2-yloxyphenyl)-4-methylbenzenesulfonamide (PubChem CID 169372950) has the molecular formula C16H17F2NO3S and a molecular weight of 341.38 g/mol. Its IUPAC name is N-(3,5-difluoro-4-propan-2-yloxyphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3,5-difluoro-4-propan-2-yloxyphenyl)-4-methylbenzenesulfonamide
PubChem CID169372950
Molecular FormulaC16H17F2NO3S
Molecular Weight341.38 g/mol
Exact Mass341.09
IUPAC NameN-(3,5-difluoro-4-propan-2-yloxyphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(F)c(OC(C)C)c(F)c2)cc1
InChIInChI=1S/C16H17F2NO3S/c1-10(2)22-16-14(17)8-12(9-15(16)18)19-23(20,21)13-6-4-11(3)5-7-13/h4-10,19H,1-3H3
InChIKeyWZWXKIAHQLYPDW-UHFFFAOYSA-N
XLogP3.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(cyclobutylmethoxy)-3,5-difluorophenyl]-4-methylbenzenesulfonamide
CID 169370952
dipropan-2-yl 5-[(4-methylphenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 22773030
N-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]phenyl]-4-methylbenzenesulfonamide
CID 169373112
3-fluoro-N-(4-methoxyphenyl)-4-propan-2-yloxybenzenesulfonamide
CID 110758244
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
4-methoxy-N-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 3876115
N-[3-fluoro-4-(4-methoxyphenoxy)phenyl]-4-methylbenzenesulfonamide
CID 169371317
[2-fluoro-5-[(4-methylphenyl)sulfonylamino]phenyl]boronic acid
CID 169371107
4-methyl-N-(3-methyl-4-propan-2-ylphenyl)benzenesulfonamide;molecular hydrogen
CID 143550449
3,5-difluoro-4-propan-2-yloxybenzenesulfonyl chloride
CID 115704040
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
N-(3-chloro-5-methylphenyl)-4-methylbenzenesulfonamide
CID 54422593

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluoro-4-propan-2-yloxyphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(3,5-difluoro-4-propan-2-yloxyphenyl)-4-methylbenzenesulfonamide (CID 169372950) is N-(3,5-difluoro-4-propan-2-yloxyphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(3,5-difluoro-4-propan-2-yloxyphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(3,5-difluoro-4-propan-2-yloxyphenyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(F)c(OC(C)C)c(F)c2)cc1.
What is the InChIKey of N-(3,5-difluoro-4-propan-2-yloxyphenyl)-4-methylbenzenesulfonamide?
The InChIKey is WZWXKIAHQLYPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO3S/c1-10(2)22-16-14(17)8-12(9-15(16)18)19-23(20,21)13-6-4-11(3)5-7-13/h4-10,19H,1-3H3.
What are the key properties of N-(3,5-difluoro-4-propan-2-yloxyphenyl)-4-methylbenzenesulfonamide?
N-(3,5-difluoro-4-propan-2-yloxyphenyl)-4-methylbenzenesulfonamide has a molecular weight of 341.38 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluoro-4-propan-2-yloxyphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 169372950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).