N-[(4-methoxyphenyl)methylidene]thiophene-2-sulfonamide

C12H11NO3S2 — CID 687534

IUPACN-[(4-methoxyphenyl)methylidene]thiophene-2-sulfonamide
SMILESCOc1ccc(C=NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C12H11NO3S2/c1-16-11-6-4-10(5-7-11)9-13-18(14,15)12-3-2-8-17-12/h2-9H,1H3
InChIKeyMSHYNLJKEQHRBU-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.56
Rot. Bonds4

About N-[(4-methoxyphenyl)methylidene]thiophene-2-sulfonamide

N-[(4-methoxyphenyl)methylidene]thiophene-2-sulfonamide (PubChem CID 687534) has the molecular formula C12H11NO3S2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methylidene]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methylidene]thiophene-2-sulfonamide
PubChem CID687534
Molecular FormulaC12H11NO3S2
Molecular Weight281.36 g/mol
Exact Mass281.02
IUPAC NameN-[(4-methoxyphenyl)methylidene]thiophene-2-sulfonamide
SMILESCOc1ccc(C=NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C12H11NO3S2/c1-16-11-6-4-10(5-7-11)9-13-18(14,15)12-3-2-8-17-12/h2-9H,1H3
InChIKeyMSHYNLJKEQHRBU-UHFFFAOYSA-N
XLogP2.56
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-[[4-(Trifluoromethoxy)phenyl]methylsulfanyl]thiophene-2-sulfonamide
CID 132819872
5-(4-Methoxybenzylthio)thiophene-2-sulfonamide
CID 15599374
N-[2-(4-methoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 769090
N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide
CID 2998241
(E)-N-(4-methoxybenzylidene)thiophene-2-sulfonamide
CID 9586312
(E)-3-[5-(4-methoxyphenyl)thiophen-2-yl]-2-propylsulfonylprop-2-enenitrile
CID 5703467
N-(N-(4-methoxyphenethyl)carbamimidoyl)thiophene-2-sulfonamide
CID 7197447
(NE)-N-[(E)-1-(4-methoxyphenyl)-3-thiophen-2-ylprop-2-enylidene]hydroxylamine
CID 12372061
(NE)-N-[[3-(4-methoxyphenyl)thiophen-2-yl]methylidene]hydroxylamine
CID 142575047
2-Thiophenecarboxylic acid, 3-((((4-methoxyphenyl)methylene)hydrazino)sulfonyl)-, methyl ester
CID 9588865
3-Thiophenecarboxylic acid, 4-((((4-methoxyphenyl)methylene)hydrazino)sulfonyl)-, methyl ester
CID 9588870
(1,1-Dioxo-tetrahydro-thiophen-3-YL)-(4-methoxy-benzylidene)-amine
CID 3118310

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methylidene]thiophene-2-sulfonamide?
The IUPAC name of N-[(4-methoxyphenyl)methylidene]thiophene-2-sulfonamide (CID 687534) is N-[(4-methoxyphenyl)methylidene]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methylidene]thiophene-2-sulfonamide?
The canonical SMILES for N-[(4-methoxyphenyl)methylidene]thiophene-2-sulfonamide is COc1ccc(C=NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methylidene]thiophene-2-sulfonamide?
The InChIKey is MSHYNLJKEQHRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S2/c1-16-11-6-4-10(5-7-11)9-13-18(14,15)12-3-2-8-17-12/h2-9H,1H3.
What are the key properties of N-[(4-methoxyphenyl)methylidene]thiophene-2-sulfonamide?
N-[(4-methoxyphenyl)methylidene]thiophene-2-sulfonamide has a molecular weight of 281.36 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methylidene]thiophene-2-sulfonamide is sourced from PubChem (CID 687534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).