N-(5-tert-butyl-2-methoxyphenyl)-3,4-difluorobenzenesulfonamide

C17H19F2NO3S — CID 2106216

IUPACN-(5-tert-butyl-2-methoxyphenyl)-3,4-difluorobenzenesulfonamide
SMILESCOc1ccc(C(C)(C)C)cc1NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C17H19F2NO3S/c1-17(2,3)11-5-8-16(23-4)15(9-11)20-24(21,22)12-6-7-13(18)14(19)10-12/h5-10,20H,1-4H3
InChIKeyQVANIOJXPRVMJM-UHFFFAOYSA-N
MW355.41 g/mol
LogP4.07
Rot. Bonds4

About N-(5-tert-butyl-2-methoxyphenyl)-3,4-difluorobenzenesulfonamide

N-(5-tert-butyl-2-methoxyphenyl)-3,4-difluorobenzenesulfonamide (PubChem CID 2106216) has the molecular formula C17H19F2NO3S and a molecular weight of 355.41 g/mol. Its IUPAC name is N-(5-tert-butyl-2-methoxyphenyl)-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-methoxyphenyl)-3,4-difluorobenzenesulfonamide
PubChem CID2106216
Molecular FormulaC17H19F2NO3S
Molecular Weight355.41 g/mol
Exact Mass355.11
IUPAC NameN-(5-tert-butyl-2-methoxyphenyl)-3,4-difluorobenzenesulfonamide
SMILESCOc1ccc(C(C)(C)C)cc1NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C17H19F2NO3S/c1-17(2,3)11-5-8-16(23-4)15(9-11)20-24(21,22)12-6-7-13(18)14(19)10-12/h5-10,20H,1-4H3
InChIKeyQVANIOJXPRVMJM-UHFFFAOYSA-N
XLogP4.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-tert-butyl-2-methoxyphenyl)-4-chlorobenzenesulfonamide
CID 7940797
N-(5-tert-butyl-2-methoxyphenyl)-4-chloro-2-fluorobenzenesulfonamide
CID 2454498
4-fluoro-N-[2-methoxy-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3463733
3-fluoro-4-methoxy-N-(2-methoxy-5-methylphenyl)benzenesulfonamide
CID 39825262
4-chloro-N-(5-fluoro-2-methoxyphenyl)benzenesulfonamide
CID 110776607
N-(5-tert-butyl-2-methoxyphenyl)ethanesulfonamide
CID 6470554
methyl 3-[(4-tert-butylphenyl)sulfonylamino]-4-methoxybenzoate
CID 3798192
4-amino-N-(5-bromo-2-methoxyphenyl)-3-fluorobenzenesulfonamide
CID 82845895
N-(5-tert-butyl-2-methoxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 39919060
3-chloro-N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 5202468
N-(2,5-dichlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 19109274
4-tert-butyl-2-(dimethylsulfamoylamino)-1-methoxybenzene
CID 110776709

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-3,4-difluorobenzenesulfonamide (CID 2106216) is N-(5-tert-butyl-2-methoxyphenyl)-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(5-tert-butyl-2-methoxyphenyl)-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(5-tert-butyl-2-methoxyphenyl)-3,4-difluorobenzenesulfonamide is COc1ccc(C(C)(C)C)cc1NS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-(5-tert-butyl-2-methoxyphenyl)-3,4-difluorobenzenesulfonamide?
The InChIKey is QVANIOJXPRVMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO3S/c1-17(2,3)11-5-8-16(23-4)15(9-11)20-24(21,22)12-6-7-13(18)14(19)10-12/h5-10,20H,1-4H3.
What are the key properties of N-(5-tert-butyl-2-methoxyphenyl)-3,4-difluorobenzenesulfonamide?
N-(5-tert-butyl-2-methoxyphenyl)-3,4-difluorobenzenesulfonamide has a molecular weight of 355.41 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-methoxyphenyl)-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 2106216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).