1-(3,4-dichlorophenyl)-3-thiophen-2-ylsulfonylurea

C11H8Cl2N2O3S2 — CID 19089331

IUPAC1-(3,4-dichlorophenyl)-3-thiophen-2-ylsulfonylurea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)NS(=O)(=O)c1cccs1
InChIInChI=1S/C11H8Cl2N2O3S2/c12-8-4-3-7(6-9(8)13)14-11(16)15-20(17,18)10-2-1-5-19-10/h1-6H,(H2,14,15,16)
InChIKeyMTJLATQLQVUASU-UHFFFAOYSA-N
MW351.24 g/mol
LogP3.57
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-3-thiophen-2-ylsulfonylurea

1-(3,4-dichlorophenyl)-3-thiophen-2-ylsulfonylurea (PubChem CID 19089331) has the molecular formula C11H8Cl2N2O3S2 and a molecular weight of 351.24 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-thiophen-2-ylsulfonylurea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-thiophen-2-ylsulfonylurea
PubChem CID19089331
Molecular FormulaC11H8Cl2N2O3S2
Molecular Weight351.24 g/mol
Exact Mass349.94
IUPAC Name1-(3,4-dichlorophenyl)-3-thiophen-2-ylsulfonylurea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)NS(=O)(=O)c1cccs1
InChIInChI=1S/C11H8Cl2N2O3S2/c12-8-4-3-7(6-9(8)13)14-11(16)15-20(17,18)10-2-1-5-19-10/h1-6H,(H2,14,15,16)
InChIKeyMTJLATQLQVUASU-UHFFFAOYSA-N
XLogP3.57
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-3-thiophen-2-ylsulfonylurea
CID 95560374
1-[4-(dimethylamino)phenyl]-3-thiophen-2-ylsulfonylurea
CID 134114948
2-chloro-N-thiophen-2-ylsulfonylbenzamide
CID 975839
thiophen-2-ylsulfonylurea;urea
CID 19065180
N-(4-bromo-3-chlorophenyl)thiophene-2-sulfonamide
CID 2207523
N-(3-chloro-4-methoxyphenyl)-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide
CID 25405255
N-[2-(3,4-dichlorophenyl)ethyl]thiophene-2-sulfonamide
CID 3810708
N-(3-chloro-4-methylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
CID 8745682
1-(3,4-dichlorophenyl)-3-(4-hydroxyphenyl)urea
CID 639709
1-(3-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 64788304
N-thiophen-2-ylsulfonylprop-2-enamide
CID 139972027
1-[3-fluoro-4-[1-hydroxy-6-(methylamino)-3-oxoisoquinolin-2-yl]phenyl]-3-thiophen-2-ylsulfonylurea
CID 91095648

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-thiophen-2-ylsulfonylurea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-thiophen-2-ylsulfonylurea (CID 19089331) is 1-(3,4-dichlorophenyl)-3-thiophen-2-ylsulfonylurea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-thiophen-2-ylsulfonylurea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-thiophen-2-ylsulfonylurea is O=C(Nc1ccc(Cl)c(Cl)c1)NS(=O)(=O)c1cccs1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-thiophen-2-ylsulfonylurea?
The InChIKey is MTJLATQLQVUASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O3S2/c12-8-4-3-7(6-9(8)13)14-11(16)15-20(17,18)10-2-1-5-19-10/h1-6H,(H2,14,15,16).
What are the key properties of 1-(3,4-dichlorophenyl)-3-thiophen-2-ylsulfonylurea?
1-(3,4-dichlorophenyl)-3-thiophen-2-ylsulfonylurea has a molecular weight of 351.24 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-thiophen-2-ylsulfonylurea is sourced from PubChem (CID 19089331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).