N-[4-(3,4-dimethylanilino)phenyl]thiophene-2-sulfonamide

C18H18N2O2S2 — CID 112986376

IUPACN-[4-(3,4-dimethylanilino)phenyl]thiophene-2-sulfonamide
SMILESCc1ccc(Nc2ccc(NS(=O)(=O)c3cccs3)cc2)cc1C
InChIInChI=1S/C18H18N2O2S2/c1-13-5-6-17(12-14(13)2)19-15-7-9-16(10-8-15)20-24(21,22)18-4-3-11-23-18/h3-12,19-20H,1-2H3
InChIKeyHDDOTLWWWUJEFU-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.91
Rot. Bonds5

About N-[4-(3,4-dimethylanilino)phenyl]thiophene-2-sulfonamide

N-[4-(3,4-dimethylanilino)phenyl]thiophene-2-sulfonamide (PubChem CID 112986376) has the molecular formula C18H18N2O2S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[4-(3,4-dimethylanilino)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethylanilino)phenyl]thiophene-2-sulfonamide
PubChem CID112986376
Molecular FormulaC18H18N2O2S2
Molecular Weight358.49 g/mol
Exact Mass358.08
IUPAC NameN-[4-(3,4-dimethylanilino)phenyl]thiophene-2-sulfonamide
SMILESCc1ccc(Nc2ccc(NS(=O)(=O)c3cccs3)cc2)cc1C
InChIInChI=1S/C18H18N2O2S2/c1-13-5-6-17(12-14(13)2)19-15-7-9-16(10-8-15)20-24(21,22)18-4-3-11-23-18/h3-12,19-20H,1-2H3
InChIKeyHDDOTLWWWUJEFU-UHFFFAOYSA-N
XLogP4.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113032152
N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 1383338
N-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide
CID 3790087
N-[4-(4-ethoxyanilino)phenyl]thiophene-2-sulfonamide
CID 112987709
2-methyl-4-(thiophen-2-ylsulfonylamino)benzoic acid
CID 56828335
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 1075762
N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113018953
N-(2,6-dimethylphenyl)thiophene-2-sulfonamide
CID 765837
N-[4-(1-hydroxyethyl)phenyl]thiophene-2-sulfonamide
CID 43416696
N-(3-bromo-5-methylphenyl)thiophene-2-sulfonamide
CID 110604781
N-(5-bromo-2-methylphenyl)thiophene-2-sulfonamide
CID 3864055
N-[4-[2-(dimethylamino)ethylamino]phenyl]thiophene-2-sulfonamide
CID 112981383

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethylanilino)phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[4-(3,4-dimethylanilino)phenyl]thiophene-2-sulfonamide (CID 112986376) is N-[4-(3,4-dimethylanilino)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-(3,4-dimethylanilino)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-(3,4-dimethylanilino)phenyl]thiophene-2-sulfonamide is Cc1ccc(Nc2ccc(NS(=O)(=O)c3cccs3)cc2)cc1C.
What is the InChIKey of N-[4-(3,4-dimethylanilino)phenyl]thiophene-2-sulfonamide?
The InChIKey is HDDOTLWWWUJEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S2/c1-13-5-6-17(12-14(13)2)19-15-7-9-16(10-8-15)20-24(21,22)18-4-3-11-23-18/h3-12,19-20H,1-2H3.
What are the key properties of N-[4-(3,4-dimethylanilino)phenyl]thiophene-2-sulfonamide?
N-[4-(3,4-dimethylanilino)phenyl]thiophene-2-sulfonamide has a molecular weight of 358.49 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethylanilino)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 112986376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).