1-(2-chlorophenyl)-3-(3-chloro-4-propan-2-ylsulfonylthiophen-2-yl)urea

C14H14Cl2N2O3S2 — CID 2819670

IUPAC1-(2-chlorophenyl)-3-(3-chloro-4-propan-2-ylsulfonylthiophen-2-yl)urea
SMILESCC(C)S(=O)(=O)c1csc(NC(=O)Nc2ccccc2Cl)c1Cl
InChIInChI=1S/C14H14Cl2N2O3S2/c1-8(2)23(20,21)11-7-22-13(12(11)16)18-14(19)17-10-6-4-3-5-9(10)15/h3-8H,1-2H3,(H2,17,18,19)
InChIKeyHIHGLTYKWWOEHY-UHFFFAOYSA-N
MW393.32 g/mol
LogP4.88
Rot. Bonds4

About 1-(2-chlorophenyl)-3-(3-chloro-4-propan-2-ylsulfonylthiophen-2-yl)urea

1-(2-chlorophenyl)-3-(3-chloro-4-propan-2-ylsulfonylthiophen-2-yl)urea (PubChem CID 2819670) has the molecular formula C14H14Cl2N2O3S2 and a molecular weight of 393.32 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(3-chloro-4-propan-2-ylsulfonylthiophen-2-yl)urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(3-chloro-4-propan-2-ylsulfonylthiophen-2-yl)urea
PubChem CID2819670
Molecular FormulaC14H14Cl2N2O3S2
Molecular Weight393.32 g/mol
Exact Mass391.98
IUPAC Name1-(2-chlorophenyl)-3-(3-chloro-4-propan-2-ylsulfonylthiophen-2-yl)urea
SMILESCC(C)S(=O)(=O)c1csc(NC(=O)Nc2ccccc2Cl)c1Cl
InChIInChI=1S/C14H14Cl2N2O3S2/c1-8(2)23(20,21)11-7-22-13(12(11)16)18-14(19)17-10-6-4-3-5-9(10)15/h3-8H,1-2H3,(H2,17,18,19)
InChIKeyHIHGLTYKWWOEHY-UHFFFAOYSA-N
XLogP4.88
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.32
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(3-chloro-4-propan-2-ylsulfonylthiophen-2-yl)urea?
The IUPAC name of 1-(2-chlorophenyl)-3-(3-chloro-4-propan-2-ylsulfonylthiophen-2-yl)urea (CID 2819670) is 1-(2-chlorophenyl)-3-(3-chloro-4-propan-2-ylsulfonylthiophen-2-yl)urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(3-chloro-4-propan-2-ylsulfonylthiophen-2-yl)urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-(3-chloro-4-propan-2-ylsulfonylthiophen-2-yl)urea is CC(C)S(=O)(=O)c1csc(NC(=O)Nc2ccccc2Cl)c1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-(3-chloro-4-propan-2-ylsulfonylthiophen-2-yl)urea?
The InChIKey is HIHGLTYKWWOEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O3S2/c1-8(2)23(20,21)11-7-22-13(12(11)16)18-14(19)17-10-6-4-3-5-9(10)15/h3-8H,1-2H3,(H2,17,18,19).
What are the key properties of 1-(2-chlorophenyl)-3-(3-chloro-4-propan-2-ylsulfonylthiophen-2-yl)urea?
1-(2-chlorophenyl)-3-(3-chloro-4-propan-2-ylsulfonylthiophen-2-yl)urea has a molecular weight of 393.32 g/mol, XLogP of 4.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(3-chloro-4-propan-2-ylsulfonylthiophen-2-yl)urea is sourced from PubChem (CID 2819670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).