N-(3-chloro-2-methylphenyl)-3-ethoxy-4-fluorobenzenesulfonamide

C15H15ClFNO3S — CID 6456762

IUPACN-(3-chloro-2-methylphenyl)-3-ethoxy-4-fluorobenzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)Nc2cccc(Cl)c2C)ccc1F
InChIInChI=1S/C15H15ClFNO3S/c1-3-21-15-9-11(7-8-13(15)17)22(19,20)18-14-6-4-5-12(16)10(14)2/h4-9,18H,3H2,1-2H3
InChIKeyHPTTWLATEMMSGN-UHFFFAOYSA-N
MW343.81 g/mol
LogP3.99
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)-3-ethoxy-4-fluorobenzenesulfonamide

N-(3-chloro-2-methylphenyl)-3-ethoxy-4-fluorobenzenesulfonamide (PubChem CID 6456762) has the molecular formula C15H15ClFNO3S and a molecular weight of 343.81 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-3-ethoxy-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-3-ethoxy-4-fluorobenzenesulfonamide
PubChem CID6456762
Molecular FormulaC15H15ClFNO3S
Molecular Weight343.81 g/mol
Exact Mass343.04
IUPAC NameN-(3-chloro-2-methylphenyl)-3-ethoxy-4-fluorobenzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)Nc2cccc(Cl)c2C)ccc1F
InChIInChI=1S/C15H15ClFNO3S/c1-3-21-15-9-11(7-8-13(15)17)22(19,20)18-14-6-4-5-12(16)10(14)2/h4-9,18H,3H2,1-2H3
InChIKeyHPTTWLATEMMSGN-UHFFFAOYSA-N
XLogP3.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 1256135
3-(aminomethyl)-N-(3-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide
CID 28717015
N-(2,3-dimethylphenyl)-3,4-diethoxybenzenesulfonamide
CID 9055836
N-(3-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide
CID 711089
N-(2,6-difluorophenyl)-4-ethoxy-3-methylbenzenesulfonamide
CID 39825088
2-chloro-N-(3-chloro-2-methylphenyl)pyridine-4-sulfonamide
CID 54895530
N-(5-chloro-2-methoxyphenyl)-3,4-diethoxybenzenesulfonamide
CID 9172723
3-amino-N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 18070649
N-(3-chloro-2-ethoxyphenyl)-4-methylbenzenesulfonamide
CID 169370534
N-(3-chloro-2-methylphenyl)-3-(hydroxymethyl)benzenesulfonamide
CID 107318048
3-bromo-N-(5-chloro-2-ethoxyphenyl)benzenesulfonamide
CID 63422726
N-(3-chloro-2-methylphenyl)-3H-benzimidazole-5-sulfonamide
CID 110760025

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-3-ethoxy-4-fluorobenzenesulfonamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-3-ethoxy-4-fluorobenzenesulfonamide (CID 6456762) is N-(3-chloro-2-methylphenyl)-3-ethoxy-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-3-ethoxy-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-3-ethoxy-4-fluorobenzenesulfonamide is CCOc1cc(S(=O)(=O)Nc2cccc(Cl)c2C)ccc1F.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-3-ethoxy-4-fluorobenzenesulfonamide?
The InChIKey is HPTTWLATEMMSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO3S/c1-3-21-15-9-11(7-8-13(15)17)22(19,20)18-14-6-4-5-12(16)10(14)2/h4-9,18H,3H2,1-2H3.
What are the key properties of N-(3-chloro-2-methylphenyl)-3-ethoxy-4-fluorobenzenesulfonamide?
N-(3-chloro-2-methylphenyl)-3-ethoxy-4-fluorobenzenesulfonamide has a molecular weight of 343.81 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-3-ethoxy-4-fluorobenzenesulfonamide is sourced from PubChem (CID 6456762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).