N-(4-prop-2-enoxyphenyl)thiophene-2-sulfonamide

C13H13NO3S2 — CID 6493654

IUPACN-(4-prop-2-enoxyphenyl)thiophene-2-sulfonamide
SMILESC=CCOc1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C13H13NO3S2/c1-2-9-17-12-7-5-11(6-8-12)14-19(15,16)13-4-3-10-18-13/h2-8,10,14H,1,9H2
InChIKeyMGJSGNBNCCFBNJ-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.11
Rot. Bonds6

About N-(4-prop-2-enoxyphenyl)thiophene-2-sulfonamide

N-(4-prop-2-enoxyphenyl)thiophene-2-sulfonamide (PubChem CID 6493654) has the molecular formula C13H13NO3S2 and a molecular weight of 295.39 g/mol. Its IUPAC name is N-(4-prop-2-enoxyphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-prop-2-enoxyphenyl)thiophene-2-sulfonamide
PubChem CID6493654
Molecular FormulaC13H13NO3S2
Molecular Weight295.39 g/mol
Exact Mass295.03
IUPAC NameN-(4-prop-2-enoxyphenyl)thiophene-2-sulfonamide
SMILESC=CCOc1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C13H13NO3S2/c1-2-9-17-12-7-5-11(6-8-12)14-19(15,16)13-4-3-10-18-13/h2-8,10,14H,1,9H2
InChIKeyMGJSGNBNCCFBNJ-UHFFFAOYSA-N
XLogP3.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-ethoxyanilino)phenyl]thiophene-2-sulfonamide
CID 112987709
4-[2-[4-(thiophen-2-ylsulfonylamino)phenoxy]ethoxy]benzoic acid
CID 68690746
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 1092869
N-(4-propan-2-yloxyphenyl)thiophene-2-sulfonamide
CID 5002728
N-(4-prop-2-enoxyphenyl)methanesulfonamide
CID 15675894
N-(4-ethoxyphenyl)-4-prop-2-enoxybenzenesulfonamide
CID 141457924
N-[4-(cyclohexylamino)phenyl]thiophene-2-sulfonamide
CID 112980784
N-[4-(3-aminoprop-1-ynyl)phenyl]thiophene-2-sulfonamide
CID 60814116
N-prop-2-enyl-1-[4-(thiophen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide
CID 46378255
N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986152
N-[(Z)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 6377891
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 1075762

Frequently Asked Questions

What is the IUPAC name of N-(4-prop-2-enoxyphenyl)thiophene-2-sulfonamide?
The IUPAC name of N-(4-prop-2-enoxyphenyl)thiophene-2-sulfonamide (CID 6493654) is N-(4-prop-2-enoxyphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(4-prop-2-enoxyphenyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(4-prop-2-enoxyphenyl)thiophene-2-sulfonamide is C=CCOc1ccc(NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-(4-prop-2-enoxyphenyl)thiophene-2-sulfonamide?
The InChIKey is MGJSGNBNCCFBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S2/c1-2-9-17-12-7-5-11(6-8-12)14-19(15,16)13-4-3-10-18-13/h2-8,10,14H,1,9H2.
What are the key properties of N-(4-prop-2-enoxyphenyl)thiophene-2-sulfonamide?
N-(4-prop-2-enoxyphenyl)thiophene-2-sulfonamide has a molecular weight of 295.39 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-prop-2-enoxyphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 6493654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).