1-(4-chlorophenyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea

C17H14ClN3O3S2 — CID 2322195

IUPAC1-(4-chlorophenyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C17H14ClN3O3S2/c18-12-7-9-13(10-8-12)19-17(22)20-14-4-1-2-5-15(14)21-26(23,24)16-6-3-11-25-16/h1-11,21H,(H2,19,20,22)
InChIKeyHPOIRMBDKLZAMR-UHFFFAOYSA-N
MW407.90 g/mol
LogP4.85
Rot. Bonds5

About 1-(4-chlorophenyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea

1-(4-chlorophenyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea (PubChem CID 2322195) has the molecular formula C17H14ClN3O3S2 and a molecular weight of 407.90 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea
PubChem CID2322195
Molecular FormulaC17H14ClN3O3S2
Molecular Weight407.90 g/mol
Exact Mass407.02
IUPAC Name1-(4-chlorophenyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C17H14ClN3O3S2/c18-12-7-9-13(10-8-12)19-17(22)20-14-4-1-2-5-15(14)21-26(23,24)16-6-3-11-25-16/h1-11,21H,(H2,19,20,22)
InChIKeyHPOIRMBDKLZAMR-UHFFFAOYSA-N
XLogP4.85
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.90
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea (CID 2322195) is 1-(4-chlorophenyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea is O=C(Nc1ccc(Cl)cc1)Nc1ccccc1NS(=O)(=O)c1cccs1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea?
The InChIKey is HPOIRMBDKLZAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3S2/c18-12-7-9-13(10-8-12)19-17(22)20-14-4-1-2-5-15(14)21-26(23,24)16-6-3-11-25-16/h1-11,21H,(H2,19,20,22).
What are the key properties of 1-(4-chlorophenyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea?
1-(4-chlorophenyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea has a molecular weight of 407.90 g/mol, XLogP of 4.85, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea is sourced from PubChem (CID 2322195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).