N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-sulfonamide

C12H14N2O4S3 — CID 2218991

IUPACN-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(CCNS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C12H14N2O4S3/c13-20(15,16)11-5-3-10(4-6-11)7-8-14-21(17,18)12-2-1-9-19-12/h1-6,9,14H,7-8H2,(H2,13,15,16)
InChIKeyGZVULUWLNYNYPV-UHFFFAOYSA-N
MW346.46 g/mol
LogP0.92
Rot. Bonds6

About N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-sulfonamide

N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-sulfonamide (PubChem CID 2218991) has the molecular formula C12H14N2O4S3 and a molecular weight of 346.46 g/mol. Its IUPAC name is N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-sulfonamide
PubChem CID2218991
Molecular FormulaC12H14N2O4S3
Molecular Weight346.46 g/mol
Exact Mass346.01
IUPAC NameN-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(CCNS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C12H14N2O4S3/c13-20(15,16)11-5-3-10(4-6-11)7-8-14-21(17,18)12-2-1-9-19-12/h1-6,9,14H,7-8H2,(H2,13,15,16)
InChIKeyGZVULUWLNYNYPV-UHFFFAOYSA-N
XLogP0.92
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N2-[(4-methylphenyl)methyl]thiophene-2,5-disulfonamide
CID 444607
4-Methyl-N-[2-(thiophen-2-yl)ethyl]benzene-1-sulfonamide
CID 711102
N-benzylthiophene-2-sulfonamide
CID 765826
(E)-4-(2-(thiophen-3-yl)vinyl)benzenesulfonamide
CID 50908699
N-(2-phenylethyl)thiophene-2-sulfonamide
CID 765827
5-bromo-N-(2-phenylethyl)-2-thiophenesulfonamide
CID 848219
(E)-4-(2-(thiophen-2-yl)vinyl)benzenesulfonamide
CID 50908697
5-methyl-N-(4-methylbenzyl)thiophene-2-sulfonamide
CID 2148031
4-Phenyl-1-(3-thienylsulfonyl)-1,2,3,6-tetrahydropyridine
CID 2738369
4-fluoro-N-[(3-methyl-2-thienyl)methyl]benzenesulfonamide
CID 2811531
N-[1-(4-methylphenyl)propyl]thiophene-2-sulfonamide
CID 4768760
N-[2-(4-chlorophenyl)ethyl]thiophene-2-sulfonamide
CID 6470169

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-sulfonamide (CID 2218991) is N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-sulfonamide is NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-sulfonamide?
The InChIKey is GZVULUWLNYNYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S3/c13-20(15,16)11-5-3-10(4-6-11)7-8-14-21(17,18)12-2-1-9-19-12/h1-6,9,14H,7-8H2,(H2,13,15,16).
What are the key properties of N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-sulfonamide?
N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-sulfonamide has a molecular weight of 346.46 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 2218991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).