N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methylbenzenesulfonamide

C16H18FNO3S — CID 90623048

IUPACN-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methylbenzenesulfonamide
SMILESCOC(CNS(=O)(=O)c1cccc(C)c1)c1cccc(F)c1
InChIInChI=1S/C16H18FNO3S/c1-12-5-3-8-15(9-12)22(19,20)18-11-16(21-2)13-6-4-7-14(17)10-13/h3-10,16,18H,11H2,1-2H3
InChIKeyCBEXYOVBPJLKQP-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.80
Rot. Bonds6

About N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methylbenzenesulfonamide

N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methylbenzenesulfonamide (PubChem CID 90623048) has the molecular formula C16H18FNO3S and a molecular weight of 323.39 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methylbenzenesulfonamide
PubChem CID90623048
Molecular FormulaC16H18FNO3S
Molecular Weight323.39 g/mol
Exact Mass323.10
IUPAC NameN-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methylbenzenesulfonamide
SMILESCOC(CNS(=O)(=O)c1cccc(C)c1)c1cccc(F)c1
InChIInChI=1S/C16H18FNO3S/c1-12-5-3-8-15(9-12)22(19,20)18-11-16(21-2)13-6-4-7-14(17)10-13/h3-10,16,18H,11H2,1-2H3
InChIKeyCBEXYOVBPJLKQP-UHFFFAOYSA-N
XLogP2.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methylbenzenesulfonamide
CID 73168435
N-[2-(3-fluorophenyl)-2-methoxyethyl]-4-propylbenzenesulfonamide
CID 90623072
2,5-dichloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide
CID 90623112
5-bromo-N-[2-(3-fluorophenyl)-2-methoxyethyl]thiophene-2-sulfonamide
CID 73168447
3-fluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102697449
1-(4-fluorophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]methanesulfonamide
CID 90623062
(E)-N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-phenylethenesulfonamide
CID 73168430
N-(2-chloropropyl)-3-methylbenzenesulfonamide
CID 65033837
N-(2-hydroxybutyl)-3-methylbenzenesulfonamide
CID 5018849
N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-methylpropanamide
CID 90622872
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylbenzenesulfonamide
CID 47006075
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]naphthalene-2-sulfonamide
CID 90623489

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methylbenzenesulfonamide (CID 90623048) is N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methylbenzenesulfonamide is COC(CNS(=O)(=O)c1cccc(C)c1)c1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methylbenzenesulfonamide?
The InChIKey is CBEXYOVBPJLKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3S/c1-12-5-3-8-15(9-12)22(19,20)18-11-16(21-2)13-6-4-7-14(17)10-13/h3-10,16,18H,11H2,1-2H3.
What are the key properties of N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methylbenzenesulfonamide?
N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methylbenzenesulfonamide has a molecular weight of 323.39 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 90623048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).