N-[4-(dimethylamino)phenyl]-2,5-dimethylthiophene-3-sulfonamide

C14H18N2O2S2 — CID 1263335

IUPACN-[4-(dimethylamino)phenyl]-2,5-dimethylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(N(C)C)cc2)c(C)s1
InChIInChI=1S/C14H18N2O2S2/c1-10-9-14(11(2)19-10)20(17,18)15-12-5-7-13(8-6-12)16(3)4/h5-9,15H,1-4H3
InChIKeyXWJHIWJRNPALFO-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.23
Rot. Bonds4

About N-[4-(dimethylamino)phenyl]-2,5-dimethylthiophene-3-sulfonamide

N-[4-(dimethylamino)phenyl]-2,5-dimethylthiophene-3-sulfonamide (PubChem CID 1263335) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2,5-dimethylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2,5-dimethylthiophene-3-sulfonamide
PubChem CID1263335
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC NameN-[4-(dimethylamino)phenyl]-2,5-dimethylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(N(C)C)cc2)c(C)s1
InChIInChI=1S/C14H18N2O2S2/c1-10-9-14(11(2)19-10)20(17,18)15-12-5-7-13(8-6-12)16(3)4/h5-9,15H,1-4H3
InChIKeyXWJHIWJRNPALFO-UHFFFAOYSA-N
XLogP3.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2,5-dimethylthiophene-3-sulfonamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2,5-dimethylthiophene-3-sulfonamide (CID 1263335) is N-[4-(dimethylamino)phenyl]-2,5-dimethylthiophene-3-sulfonamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2,5-dimethylthiophene-3-sulfonamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2,5-dimethylthiophene-3-sulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(N(C)C)cc2)c(C)s1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2,5-dimethylthiophene-3-sulfonamide?
The InChIKey is XWJHIWJRNPALFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-10-9-14(11(2)19-10)20(17,18)15-12-5-7-13(8-6-12)16(3)4/h5-9,15H,1-4H3.
What are the key properties of N-[4-(dimethylamino)phenyl]-2,5-dimethylthiophene-3-sulfonamide?
N-[4-(dimethylamino)phenyl]-2,5-dimethylthiophene-3-sulfonamide has a molecular weight of 310.44 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2,5-dimethylthiophene-3-sulfonamide is sourced from PubChem (CID 1263335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).