N-(5-tert-butyl-2-methoxyphenyl)-4-chloro-2-fluorobenzenesulfonamide

C17H19ClFNO3S — CID 2454498

IUPACN-(5-tert-butyl-2-methoxyphenyl)-4-chloro-2-fluorobenzenesulfonamide
SMILESCOc1ccc(C(C)(C)C)cc1NS(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C17H19ClFNO3S/c1-17(2,3)11-5-7-15(23-4)14(9-11)20-24(21,22)16-8-6-12(18)10-13(16)19/h5-10,20H,1-4H3
InChIKeyXLKIKTSEIKVWJH-UHFFFAOYSA-N
MW371.86 g/mol
LogP4.59
Rot. Bonds4

About N-(5-tert-butyl-2-methoxyphenyl)-4-chloro-2-fluorobenzenesulfonamide

N-(5-tert-butyl-2-methoxyphenyl)-4-chloro-2-fluorobenzenesulfonamide (PubChem CID 2454498) has the molecular formula C17H19ClFNO3S and a molecular weight of 371.86 g/mol. Its IUPAC name is N-(5-tert-butyl-2-methoxyphenyl)-4-chloro-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-methoxyphenyl)-4-chloro-2-fluorobenzenesulfonamide
PubChem CID2454498
Molecular FormulaC17H19ClFNO3S
Molecular Weight371.86 g/mol
Exact Mass371.08
IUPAC NameN-(5-tert-butyl-2-methoxyphenyl)-4-chloro-2-fluorobenzenesulfonamide
SMILESCOc1ccc(C(C)(C)C)cc1NS(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C17H19ClFNO3S/c1-17(2,3)11-5-7-15(23-4)14(9-11)20-24(21,22)16-8-6-12(18)10-13(16)19/h5-10,20H,1-4H3
InChIKeyXLKIKTSEIKVWJH-UHFFFAOYSA-N
XLogP4.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.86
LogP ≤ 54.59
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)-3,4-difluorobenzenesulfonamide
CID 2106216
N-(5-chloro-2-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 2696930
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
5-chloro-2-methoxy-N-[2-(2-methoxyphenoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3670999
2-chloro-N-(5-chloro-2-methoxyphenyl)benzenesulfonamide
CID 4816687
N-(4-chloro-2-methoxyphenyl)-3-fluoro-4-methoxy-2-methylbenzenesulfonamide
CID 167870592
N-(5-chloro-2-methoxyphenyl)sulfamoyl chloride
CID 84760623
N-(5-tert-butyl-2-methoxyphenyl)ethanesulfonamide
CID 6470554
3-chloro-N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 5202468
N-(4-chloro-2-methoxy-5-methylphenyl)-2,4-difluorobenzenesulfonamide
CID 8523503
4-tert-butyl-2-(dimethylsulfamoylamino)-1-methoxybenzene
CID 110776709

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-4-chloro-2-fluorobenzenesulfonamide?
The IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-4-chloro-2-fluorobenzenesulfonamide (CID 2454498) is N-(5-tert-butyl-2-methoxyphenyl)-4-chloro-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(5-tert-butyl-2-methoxyphenyl)-4-chloro-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(5-tert-butyl-2-methoxyphenyl)-4-chloro-2-fluorobenzenesulfonamide is COc1ccc(C(C)(C)C)cc1NS(=O)(=O)c1ccc(Cl)cc1F.
What is the InChIKey of N-(5-tert-butyl-2-methoxyphenyl)-4-chloro-2-fluorobenzenesulfonamide?
The InChIKey is XLKIKTSEIKVWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO3S/c1-17(2,3)11-5-7-15(23-4)14(9-11)20-24(21,22)16-8-6-12(18)10-13(16)19/h5-10,20H,1-4H3.
What are the key properties of N-(5-tert-butyl-2-methoxyphenyl)-4-chloro-2-fluorobenzenesulfonamide?
N-(5-tert-butyl-2-methoxyphenyl)-4-chloro-2-fluorobenzenesulfonamide has a molecular weight of 371.86 g/mol, XLogP of 4.59, 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)-4-chloro-2-fluorobenzenesulfonamide is sourced from PubChem (CID 2454498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).