N-(4-chloro-2-methoxyphenyl)-3-fluoro-4-methoxy-2-methylbenzenesulfonamide

C15H15ClFNO4S — CID 167870592

IUPACN-(4-chloro-2-methoxyphenyl)-3-fluoro-4-methoxy-2-methylbenzenesulfonamide
SMILESCOc1cc(Cl)ccc1NS(=O)(=O)c1ccc(OC)c(F)c1C
InChIInChI=1S/C15H15ClFNO4S/c1-9-14(7-6-12(21-2)15(9)17)23(19,20)18-11-5-4-10(16)8-13(11)22-3/h4-8,18H,1-3H3
InChIKeyVISQIWBLFPWMLX-UHFFFAOYSA-N
MW359.81 g/mol
LogP3.61
Rot. Bonds5

About N-(4-chloro-2-methoxyphenyl)-3-fluoro-4-methoxy-2-methylbenzenesulfonamide

N-(4-chloro-2-methoxyphenyl)-3-fluoro-4-methoxy-2-methylbenzenesulfonamide (PubChem CID 167870592) has the molecular formula C15H15ClFNO4S and a molecular weight of 359.81 g/mol. Its IUPAC name is N-(4-chloro-2-methoxyphenyl)-3-fluoro-4-methoxy-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxyphenyl)-3-fluoro-4-methoxy-2-methylbenzenesulfonamide
PubChem CID167870592
Molecular FormulaC15H15ClFNO4S
Molecular Weight359.81 g/mol
Exact Mass359.04
IUPAC NameN-(4-chloro-2-methoxyphenyl)-3-fluoro-4-methoxy-2-methylbenzenesulfonamide
SMILESCOc1cc(Cl)ccc1NS(=O)(=O)c1ccc(OC)c(F)c1C
InChIInChI=1S/C15H15ClFNO4S/c1-9-14(7-6-12(21-2)15(9)17)23(19,20)18-11-5-4-10(16)8-13(11)22-3/h4-8,18H,1-3H3
InChIKeyVISQIWBLFPWMLX-UHFFFAOYSA-N
XLogP3.61
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(2,4-dimethoxyphenyl)-2-fluorobenzenesulfonamide
CID 110759387
N-(4-chloro-2-methoxy-5-methylphenyl)-2,3,4-trifluorobenzenesulfonamide
CID 8523518
N-(2,4-dimethoxyphenyl)-2,3,4-trifluorobenzenesulfonamide
CID 2621668
N-(5-chloro-2-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 2696930
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
N-(5-tert-butyl-2-methoxyphenyl)-4-chloro-2-fluorobenzenesulfonamide
CID 2454498
N-[3-[(6-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2,4-difluorophenyl]-3-fluoro-4-methoxy-2-methylbenzenesulfonamide
CID 166081396
5-chloro-N-(2,4-dimethylphenyl)-2-methoxybenzenesulfonamide
CID 39845488
2-methoxy-5-methylsulfonyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 110300294
N-(2-fluoro-5-methylphenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 8514842
N-(5-chloro-2-methylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 22775089
N-(4-chloro-2-methoxy-5-methylphenyl)-2,4-difluorobenzenesulfonamide
CID 8523503

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxyphenyl)-3-fluoro-4-methoxy-2-methylbenzenesulfonamide?
The IUPAC name of N-(4-chloro-2-methoxyphenyl)-3-fluoro-4-methoxy-2-methylbenzenesulfonamide (CID 167870592) is N-(4-chloro-2-methoxyphenyl)-3-fluoro-4-methoxy-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-chloro-2-methoxyphenyl)-3-fluoro-4-methoxy-2-methylbenzenesulfonamide?
The canonical SMILES for N-(4-chloro-2-methoxyphenyl)-3-fluoro-4-methoxy-2-methylbenzenesulfonamide is COc1cc(Cl)ccc1NS(=O)(=O)c1ccc(OC)c(F)c1C.
What is the InChIKey of N-(4-chloro-2-methoxyphenyl)-3-fluoro-4-methoxy-2-methylbenzenesulfonamide?
The InChIKey is VISQIWBLFPWMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO4S/c1-9-14(7-6-12(21-2)15(9)17)23(19,20)18-11-5-4-10(16)8-13(11)22-3/h4-8,18H,1-3H3.
What are the key properties of N-(4-chloro-2-methoxyphenyl)-3-fluoro-4-methoxy-2-methylbenzenesulfonamide?
N-(4-chloro-2-methoxyphenyl)-3-fluoro-4-methoxy-2-methylbenzenesulfonamide has a molecular weight of 359.81 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxyphenyl)-3-fluoro-4-methoxy-2-methylbenzenesulfonamide is sourced from PubChem (CID 167870592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).