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

C14H15ClN2O3S2 — CID 2820034

IUPAC1-(4-chlorophenyl)-3-(4-propan-2-ylsulfonylthiophen-2-yl)urea
SMILESCC(C)S(=O)(=O)c1csc(NC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H15ClN2O3S2/c1-9(2)22(19,20)12-7-13(21-8-12)17-14(18)16-11-5-3-10(15)4-6-11/h3-9H,1-2H3,(H2,16,17,18)
InChIKeyCBNORIJRGHLXJV-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.23
Rot. Bonds4

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

1-(4-chlorophenyl)-3-(4-propan-2-ylsulfonylthiophen-2-yl)urea (PubChem CID 2820034) has the molecular formula C14H15ClN2O3S2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(4-propan-2-ylsulfonylthiophen-2-yl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(4-propan-2-ylsulfonylthiophen-2-yl)urea
PubChem CID2820034
Molecular FormulaC14H15ClN2O3S2
Molecular Weight358.87 g/mol
Exact Mass358.02
IUPAC Name1-(4-chlorophenyl)-3-(4-propan-2-ylsulfonylthiophen-2-yl)urea
SMILESCC(C)S(=O)(=O)c1csc(NC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H15ClN2O3S2/c1-9(2)22(19,20)12-7-13(21-8-12)17-14(18)16-11-5-3-10(15)4-6-11/h3-9H,1-2H3,(H2,16,17,18)
InChIKeyCBNORIJRGHLXJV-UHFFFAOYSA-N
XLogP4.23
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(4-propan-2-ylsulfonylthiophen-2-yl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(4-propan-2-ylsulfonylthiophen-2-yl)urea (CID 2820034) is 1-(4-chlorophenyl)-3-(4-propan-2-ylsulfonylthiophen-2-yl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(4-propan-2-ylsulfonylthiophen-2-yl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(4-propan-2-ylsulfonylthiophen-2-yl)urea is CC(C)S(=O)(=O)c1csc(NC(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(4-propan-2-ylsulfonylthiophen-2-yl)urea?
The InChIKey is CBNORIJRGHLXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S2/c1-9(2)22(19,20)12-7-13(21-8-12)17-14(18)16-11-5-3-10(15)4-6-11/h3-9H,1-2H3,(H2,16,17,18).
What are the key properties of 1-(4-chlorophenyl)-3-(4-propan-2-ylsulfonylthiophen-2-yl)urea?
1-(4-chlorophenyl)-3-(4-propan-2-ylsulfonylthiophen-2-yl)urea has a molecular weight of 358.87 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(4-propan-2-ylsulfonylthiophen-2-yl)urea is sourced from PubChem (CID 2820034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).