N-[4-[2-(dimethylamino)ethylamino]phenyl]thiophene-2-sulfonamide

C14H19N3O2S2 — CID 112981383

IUPACN-[4-[2-(dimethylamino)ethylamino]phenyl]thiophene-2-sulfonamide
SMILESCN(C)CCNc1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C14H19N3O2S2/c1-17(2)10-9-15-12-5-7-13(8-6-12)16-21(18,19)14-4-3-11-20-14/h3-8,11,15-16H,9-10H2,1-2H3
InChIKeyDOXIEMOZAIURPK-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.52
Rot. Bonds7

About N-[4-[2-(dimethylamino)ethylamino]phenyl]thiophene-2-sulfonamide

N-[4-[2-(dimethylamino)ethylamino]phenyl]thiophene-2-sulfonamide (PubChem CID 112981383) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)ethylamino]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)ethylamino]phenyl]thiophene-2-sulfonamide
PubChem CID112981383
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC NameN-[4-[2-(dimethylamino)ethylamino]phenyl]thiophene-2-sulfonamide
SMILESCN(C)CCNc1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C14H19N3O2S2/c1-17(2)10-9-15-12-5-7-13(8-6-12)16-21(18,19)14-4-3-11-20-14/h3-8,11,15-16H,9-10H2,1-2H3
InChIKeyDOXIEMOZAIURPK-UHFFFAOYSA-N
XLogP2.52
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]thiophene-2-sulfonamide
CID 113025588
N-[4-(3-phenylpropylamino)phenyl]thiophene-2-sulfonamide
CID 112984772
N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986152
N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]thiophene-2-sulfonamide
CID 112983618
N-[4-[2-(dimethylamino)ethylamino]phenyl]thiophene-2-carboxamide
CID 112981287
N-[4-[benzyl(methyl)amino]phenyl]thiophene-2-sulfonamide
CID 112982346
N-(4-propan-2-yloxyphenyl)thiophene-2-sulfonamide
CID 5002728
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 1075762
N-[4-(3,4-dimethylanilino)phenyl]thiophene-2-sulfonamide
CID 112986376
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]thiophene-2-sulfonamide
CID 2360837
N-[4-(1-hydroxyethyl)phenyl]thiophene-2-sulfonamide
CID 43416696
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 1092869

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)ethylamino]phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[4-[2-(dimethylamino)ethylamino]phenyl]thiophene-2-sulfonamide (CID 112981383) is N-[4-[2-(dimethylamino)ethylamino]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-[2-(dimethylamino)ethylamino]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-[2-(dimethylamino)ethylamino]phenyl]thiophene-2-sulfonamide is CN(C)CCNc1ccc(NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-[2-(dimethylamino)ethylamino]phenyl]thiophene-2-sulfonamide?
The InChIKey is DOXIEMOZAIURPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-17(2)10-9-15-12-5-7-13(8-6-12)16-21(18,19)14-4-3-11-20-14/h3-8,11,15-16H,9-10H2,1-2H3.
What are the key properties of N-[4-[2-(dimethylamino)ethylamino]phenyl]thiophene-2-sulfonamide?
N-[4-[2-(dimethylamino)ethylamino]phenyl]thiophene-2-sulfonamide has a molecular weight of 325.46 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)ethylamino]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 112981383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).