N-[2-(4-fluorophenyl)ethyl]-N-methyl-5-(2-nitrosoethyl)thiophene-3-sulfonamide

C15H17FN2O3S2 — CID 91365006

IUPACN-[2-(4-fluorophenyl)ethyl]-N-methyl-5-(2-nitrosoethyl)thiophene-3-sulfonamide
SMILESCN(CCc1ccc(F)cc1)S(=O)(=O)c1csc(CCN=O)c1
InChIInChI=1S/C15H17FN2O3S2/c1-18(9-7-12-2-4-13(16)5-3-12)23(20,21)15-10-14(22-11-15)6-8-17-19/h2-5,10-11H,6-9H2,1H3
InChIKeyNMYPPKXLOMWGEV-UHFFFAOYSA-N
MW356.44 g/mol
LogP3.06
Rot. Bonds8

About N-[2-(4-fluorophenyl)ethyl]-N-methyl-5-(2-nitrosoethyl)thiophene-3-sulfonamide

N-[2-(4-fluorophenyl)ethyl]-N-methyl-5-(2-nitrosoethyl)thiophene-3-sulfonamide (PubChem CID 91365006) has the molecular formula C15H17FN2O3S2 and a molecular weight of 356.44 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-N-methyl-5-(2-nitrosoethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-N-methyl-5-(2-nitrosoethyl)thiophene-3-sulfonamide
PubChem CID91365006
Molecular FormulaC15H17FN2O3S2
Molecular Weight356.44 g/mol
Exact Mass356.07
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-N-methyl-5-(2-nitrosoethyl)thiophene-3-sulfonamide
SMILESCN(CCc1ccc(F)cc1)S(=O)(=O)c1csc(CCN=O)c1
InChIInChI=1S/C15H17FN2O3S2/c1-18(9-7-12-2-4-13(16)5-3-12)23(20,21)15-10-14(22-11-15)6-8-17-19/h2-5,10-11H,6-9H2,1H3
InChIKeyNMYPPKXLOMWGEV-UHFFFAOYSA-N
XLogP3.06
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-N-methyl-5-(2-nitrosoethyl)thiophene-3-sulfonamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-N-methyl-5-(2-nitrosoethyl)thiophene-3-sulfonamide (CID 91365006) is N-[2-(4-fluorophenyl)ethyl]-N-methyl-5-(2-nitrosoethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-N-methyl-5-(2-nitrosoethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-N-methyl-5-(2-nitrosoethyl)thiophene-3-sulfonamide is CN(CCc1ccc(F)cc1)S(=O)(=O)c1csc(CCN=O)c1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-N-methyl-5-(2-nitrosoethyl)thiophene-3-sulfonamide?
The InChIKey is NMYPPKXLOMWGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3S2/c1-18(9-7-12-2-4-13(16)5-3-12)23(20,21)15-10-14(22-11-15)6-8-17-19/h2-5,10-11H,6-9H2,1H3.
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-N-methyl-5-(2-nitrosoethyl)thiophene-3-sulfonamide?
N-[2-(4-fluorophenyl)ethyl]-N-methyl-5-(2-nitrosoethyl)thiophene-3-sulfonamide has a molecular weight of 356.44 g/mol, XLogP of 3.06, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-N-methyl-5-(2-nitrosoethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 91365006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).