1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-(2-phenylethyl)urea

C13H12Cl2N2O3S2 — CID 141417325

IUPAC1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)NS(=O)(=O)c1cc(Cl)c(Cl)s1
InChIInChI=1S/C13H12Cl2N2O3S2/c14-10-8-11(21-12(10)15)22(19,20)17-13(18)16-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,16,17,18)
InChIKeyGXNQCVQRGBQIKE-UHFFFAOYSA-N
MW379.29 g/mol
LogP3.29
Rot. Bonds5

About 1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-(2-phenylethyl)urea

1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-(2-phenylethyl)urea (PubChem CID 141417325) has the molecular formula C13H12Cl2N2O3S2 and a molecular weight of 379.29 g/mol. Its IUPAC name is 1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-(2-phenylethyl)urea
PubChem CID141417325
Molecular FormulaC13H12Cl2N2O3S2
Molecular Weight379.29 g/mol
Exact Mass377.97
IUPAC Name1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)NS(=O)(=O)c1cc(Cl)c(Cl)s1
InChIInChI=1S/C13H12Cl2N2O3S2/c14-10-8-11(21-12(10)15)22(19,20)17-13(18)16-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,16,17,18)
InChIKeyGXNQCVQRGBQIKE-UHFFFAOYSA-N
XLogP3.29
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-difluorophenyl)sulfonyl-3-(2-phenylethyl)urea
CID 141051820
2-[(4,5-dichlorothiophen-2-yl)sulfonylamino]-3-phenylpropanamide
CID 6737140
1-(4-tert-butylphenyl)sulfonyl-3-(2-phenylethyl)urea
CID 141051809
1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-phenylethyl)urea
CID 108989118
N-[3-(2-phenylethylcarbamoylamino)phenyl]sulfonylacetamide
CID 70284914
N-(2-phenylethyl)-5-sulfamoylthiophene-3-carboxamide
CID 39191262
2,3,6-trichloro-N-(2-phenylethyl)benzamide
CID 19171105
3-chloro-N-(2-phenylethylcarbamoyl)propanamide
CID 43146230
1-(benzenesulfonyl)-3-(2-methylsulfonylethyl)urea
CID 54774362
(E)-3-(2,6-dichlorophenyl)-N-(2-phenylethyl)prop-2-enamide
CID 732568
molecular hydrogen;2-phenylethylcarbamic acid
CID 145072858
2-phenylethylcarbamothioic S-acid
CID 11116669

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-(2-phenylethyl)urea?
The IUPAC name of 1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-(2-phenylethyl)urea (CID 141417325) is 1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-(2-phenylethyl)urea?
The canonical SMILES for 1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-(2-phenylethyl)urea is O=C(NCCc1ccccc1)NS(=O)(=O)c1cc(Cl)c(Cl)s1.
What is the InChIKey of 1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-(2-phenylethyl)urea?
The InChIKey is GXNQCVQRGBQIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O3S2/c14-10-8-11(21-12(10)15)22(19,20)17-13(18)16-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,16,17,18).
What are the key properties of 1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-(2-phenylethyl)urea?
1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-(2-phenylethyl)urea has a molecular weight of 379.29 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-(2-phenylethyl)urea is sourced from PubChem (CID 141417325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).