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

C17H13Cl2N3O3S2 — CID 2322197

IUPAC1-(3,4-dichlorophenyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C17H13Cl2N3O3S2/c18-12-8-7-11(10-13(12)19)20-17(23)21-14-4-1-2-5-15(14)22-27(24,25)16-6-3-9-26-16/h1-10,22H,(H2,20,21,23)
InChIKeyVTQJCLGKBUKQCU-UHFFFAOYSA-N
MW442.35 g/mol
LogP5.50
Rot. Bonds5

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

1-(3,4-dichlorophenyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea (PubChem CID 2322197) has the molecular formula C17H13Cl2N3O3S2 and a molecular weight of 442.35 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea
PubChem CID2322197
Molecular FormulaC17H13Cl2N3O3S2
Molecular Weight442.35 g/mol
Exact Mass440.98
IUPAC Name1-(3,4-dichlorophenyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C17H13Cl2N3O3S2/c18-12-8-7-11(10-13(12)19)20-17(23)21-14-4-1-2-5-15(14)22-27(24,25)16-6-3-9-26-16/h1-10,22H,(H2,20,21,23)
InChIKeyVTQJCLGKBUKQCU-UHFFFAOYSA-N
XLogP5.50
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.35
LogP ≤ 55.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-Phenyl-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea
CID 2322191
N-[2-({[(4-chlorophenyl)amino]carbonyl}amino)phenyl]-2-thiophenesulfonamide
CID 2322195
N-(4,5-dichloro-2-{[(2,4-difluorophenyl)sulfonyl]amino}phenyl)thiophene-2-sulfonamide
CID 67970214
N-(4,5-dichloro-2-{[(2-fluorophenyl)sulfonyl]amino}phenyl)thiophene-2-sulfonamide
CID 67970417
N-(4,5-dichloro-2-{[(4-fluorophenyl)sulfonyl]amino}phenyl)thiophene-2-sulfonamide
CID 67970767
1-(3-Chlorophenyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea
CID 2322183
1-(4-Fluorophenyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea
CID 2322189
N-[(4-Chlorophenyl)carbamoyl]thiophene-2-sulfonamide
CID 15669317
5-Chloro-N-[[(4-chlorophenyl)amino]carbonyl]-2-thiophenesulfonamide
CID 15669318
1-(4-Chlorophenyl)-3-(5-methylsulfanylthiophen-2-yl)sulfonylurea
CID 15669320
3-methyl-N-[[(4-chlorophenyl)amino]carbonyl]-2-thiophenesulfonamide
CID 15669333
1-(3,4-Dichlorophenyl)-3-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylsulfonyl)urea
CID 15669352

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea (CID 2322197) is 1-(3,4-dichlorophenyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea is O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccccc1NS(=O)(=O)c1cccs1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea?
The InChIKey is VTQJCLGKBUKQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O3S2/c18-12-8-7-11(10-13(12)19)20-17(23)21-14-4-1-2-5-15(14)22-27(24,25)16-6-3-9-26-16/h1-10,22H,(H2,20,21,23).
What are the key properties of 1-(3,4-dichlorophenyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea?
1-(3,4-dichlorophenyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea has a molecular weight of 442.35 g/mol, XLogP of 5.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea is sourced from PubChem (CID 2322197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).