1-phenyl-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea

C17H15N3O3S2 — CID 2322191

IUPAC1-phenyl-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea
SMILESO=C(Nc1ccccc1)Nc1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C17H15N3O3S2/c21-17(18-13-7-2-1-3-8-13)19-14-9-4-5-10-15(14)20-25(22,23)16-11-6-12-24-16/h1-12,20H,(H2,18,19,21)
InChIKeySIJCPHYOQRJORU-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.19
Rot. Bonds5

About 1-phenyl-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea

1-phenyl-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea (PubChem CID 2322191) has the molecular formula C17H15N3O3S2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-phenyl-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea.

Molecular Properties

Compound Name1-phenyl-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea
PubChem CID2322191
Molecular FormulaC17H15N3O3S2
Molecular Weight373.46 g/mol
Exact Mass373.06
IUPAC Name1-phenyl-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea
SMILESO=C(Nc1ccccc1)Nc1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C17H15N3O3S2/c21-17(18-13-7-2-1-3-8-13)19-14-9-4-5-10-15(14)20-25(22,23)16-11-6-12-24-16/h1-12,20H,(H2,18,19,21)
InChIKeySIJCPHYOQRJORU-UHFFFAOYSA-N
XLogP4.19
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea?
The IUPAC name of 1-phenyl-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea (CID 2322191) is 1-phenyl-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea.
What is the SMILES notation for 1-phenyl-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea?
The canonical SMILES for 1-phenyl-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea is O=C(Nc1ccccc1)Nc1ccccc1NS(=O)(=O)c1cccs1.
What is the InChIKey of 1-phenyl-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea?
The InChIKey is SIJCPHYOQRJORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S2/c21-17(18-13-7-2-1-3-8-13)19-14-9-4-5-10-15(14)20-25(22,23)16-11-6-12-24-16/h1-12,20H,(H2,18,19,21).
What are the key properties of 1-phenyl-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea?
1-phenyl-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea has a molecular weight of 373.46 g/mol, XLogP of 4.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea is sourced from PubChem (CID 2322191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).