4-(1-thiophen-2-ylpropan-2-ylamino)benzenesulfonamide

C13H16N2O2S2 — CID 63292300

IUPAC4-(1-thiophen-2-ylpropan-2-ylamino)benzenesulfonamide
SMILESCC(Cc1cccs1)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H16N2O2S2/c1-10(9-12-3-2-8-18-12)15-11-4-6-13(7-5-11)19(14,16)17/h2-8,10,15H,9H2,1H3,(H2,14,16,17)
InChIKeyKZIONFHOPBCTNA-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.44
Rot. Bonds5

About 4-(1-thiophen-2-ylpropan-2-ylamino)benzenesulfonamide

4-(1-thiophen-2-ylpropan-2-ylamino)benzenesulfonamide (PubChem CID 63292300) has the molecular formula C13H16N2O2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 4-(1-thiophen-2-ylpropan-2-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-(1-thiophen-2-ylpropan-2-ylamino)benzenesulfonamide
PubChem CID63292300
Molecular FormulaC13H16N2O2S2
Molecular Weight296.42 g/mol
Exact Mass296.07
IUPAC Name4-(1-thiophen-2-ylpropan-2-ylamino)benzenesulfonamide
SMILESCC(Cc1cccs1)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H16N2O2S2/c1-10(9-12-3-2-8-18-12)15-11-4-6-13(7-5-11)19(14,16)17/h2-8,10,15H,9H2,1H3,(H2,14,16,17)
InChIKeyKZIONFHOPBCTNA-UHFFFAOYSA-N
XLogP2.44
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-thiophen-2-ylpropan-2-yl)pyridin-4-amine
CID 63292001
3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]benzenesulfonamide
CID 43783025
2-(1-thiophen-2-ylpropan-2-ylamino)ethanesulfonamide
CID 114385022
4-(pentan-2-ylamino)benzenesulfonamide
CID 43193552
4-[1-(2-thiophen-2-ylethylamino)ethyl]benzenesulfonamide
CID 43763574
1-[2-amino-4-(1-thiophen-2-ylpropan-2-ylamino)phenyl]ethanone
CID 104528838
4-amino-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenesulfonamide
CID 82898608
3-amino-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenesulfonamide
CID 79472414
2-hydroxy-N-(1-thiophen-2-ylpropan-2-yl)ethanesulfonamide
CID 79578342
N-[1-(4-sulfamoylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 18282598
2-(4-sulfamoylanilino)-2-thiophen-2-ylacetic acid
CID 115284600
2-hydrazinyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-5-sulfonamide
CID 63292014

Frequently Asked Questions

What is the IUPAC name of 4-(1-thiophen-2-ylpropan-2-ylamino)benzenesulfonamide?
The IUPAC name of 4-(1-thiophen-2-ylpropan-2-ylamino)benzenesulfonamide (CID 63292300) is 4-(1-thiophen-2-ylpropan-2-ylamino)benzenesulfonamide.
What is the SMILES notation for 4-(1-thiophen-2-ylpropan-2-ylamino)benzenesulfonamide?
The canonical SMILES for 4-(1-thiophen-2-ylpropan-2-ylamino)benzenesulfonamide is CC(Cc1cccs1)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-(1-thiophen-2-ylpropan-2-ylamino)benzenesulfonamide?
The InChIKey is KZIONFHOPBCTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S2/c1-10(9-12-3-2-8-18-12)15-11-4-6-13(7-5-11)19(14,16)17/h2-8,10,15H,9H2,1H3,(H2,14,16,17).
What are the key properties of 4-(1-thiophen-2-ylpropan-2-ylamino)benzenesulfonamide?
4-(1-thiophen-2-ylpropan-2-ylamino)benzenesulfonamide has a molecular weight of 296.42 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-thiophen-2-ylpropan-2-ylamino)benzenesulfonamide is sourced from PubChem (CID 63292300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).