N-[4-(2-methoxyphenoxy)but-2-ynyl]ethanesulfonamide

C13H17NO4S — CID 90575710

IUPACN-[4-(2-methoxyphenoxy)but-2-ynyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC#CCOc1ccccc1OC
InChIInChI=1S/C13H17NO4S/c1-3-19(15,16)14-10-6-7-11-18-13-9-5-4-8-12(13)17-2/h4-5,8-9,14H,3,10-11H2,1-2H3
InChIKeyMJQQUZLIKVAUKT-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.02
Rot. Bonds6

About N-[4-(2-methoxyphenoxy)but-2-ynyl]ethanesulfonamide

N-[4-(2-methoxyphenoxy)but-2-ynyl]ethanesulfonamide (PubChem CID 90575710) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is N-[4-(2-methoxyphenoxy)but-2-ynyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(2-methoxyphenoxy)but-2-ynyl]ethanesulfonamide
PubChem CID90575710
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC NameN-[4-(2-methoxyphenoxy)but-2-ynyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC#CCOc1ccccc1OC
InChIInChI=1S/C13H17NO4S/c1-3-19(15,16)14-10-6-7-11-18-13-9-5-4-8-12(13)17-2/h4-5,8-9,14H,3,10-11H2,1-2H3
InChIKeyMJQQUZLIKVAUKT-UHFFFAOYSA-N
XLogP1.02
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-methoxyphenoxy)but-2-ynyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 71802980
4-methoxy-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide
CID 90575717
4-fluoro-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide
CID 90575714
2-fluoro-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide
CID 71802972
N-[4-(2-methoxyphenoxy)but-2-ynyl]-5-methylthiophene-2-sulfonamide
CID 71802970
4-methoxy-N-[4-(2-methoxyphenoxy)but-2-ynyl]-3-methylbenzenesulfonamide
CID 90575722
N-[4-(2-methoxyphenoxy)but-2-ynyl]pyridine-3-sulfonamide
CID 71802961
(E)-N-[4-(2-methoxyphenoxy)but-2-ynyl]-2-(4-methylphenyl)ethenesulfonamide
CID 90575760
2-methoxy-N-[4-(2-methylphenoxy)but-2-ynyl]benzenesulfonamide
CID 90575454
5-chloro-N-[4-(2-methoxyphenoxy)but-2-ynyl]-2-methylbenzenesulfonamide
CID 90575738
N-[4-(2-methoxyphenoxy)but-2-ynyl]quinoline-8-sulfonamide
CID 71802969
N-[4-(2-methoxyphenoxy)but-2-ynyl]pentanamide
CID 90575522

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyphenoxy)but-2-ynyl]ethanesulfonamide?
The IUPAC name of N-[4-(2-methoxyphenoxy)but-2-ynyl]ethanesulfonamide (CID 90575710) is N-[4-(2-methoxyphenoxy)but-2-ynyl]ethanesulfonamide.
What is the SMILES notation for N-[4-(2-methoxyphenoxy)but-2-ynyl]ethanesulfonamide?
The canonical SMILES for N-[4-(2-methoxyphenoxy)but-2-ynyl]ethanesulfonamide is CCS(=O)(=O)NCC#CCOc1ccccc1OC.
What is the InChIKey of N-[4-(2-methoxyphenoxy)but-2-ynyl]ethanesulfonamide?
The InChIKey is MJQQUZLIKVAUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-3-19(15,16)14-10-6-7-11-18-13-9-5-4-8-12(13)17-2/h4-5,8-9,14H,3,10-11H2,1-2H3.
What are the key properties of N-[4-(2-methoxyphenoxy)but-2-ynyl]ethanesulfonamide?
N-[4-(2-methoxyphenoxy)but-2-ynyl]ethanesulfonamide has a molecular weight of 283.35 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyphenoxy)but-2-ynyl]ethanesulfonamide is sourced from PubChem (CID 90575710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).