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

C14H14Cl2N2O3S2 — CID 2819678

IUPAC1-(4-chlorophenyl)-3-(3-chloro-4-propan-2-ylsulfonylthiophen-2-yl)urea
SMILESCC(C)S(=O)(=O)c1csc(NC(=O)Nc2ccc(Cl)cc2)c1Cl
InChIInChI=1S/C14H14Cl2N2O3S2/c1-8(2)23(20,21)11-7-22-13(12(11)16)18-14(19)17-10-5-3-9(15)4-6-10/h3-8H,1-2H3,(H2,17,18,19)
InChIKeyOUGHAXAUJATQGA-UHFFFAOYSA-N
MW393.32 g/mol
LogP4.88
Rot. Bonds4

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

1-(4-chlorophenyl)-3-(3-chloro-4-propan-2-ylsulfonylthiophen-2-yl)urea (PubChem CID 2819678) has the molecular formula C14H14Cl2N2O3S2 and a molecular weight of 393.32 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(3-chloro-4-propan-2-ylsulfonylthiophen-2-yl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(3-chloro-4-propan-2-ylsulfonylthiophen-2-yl)urea
PubChem CID2819678
Molecular FormulaC14H14Cl2N2O3S2
Molecular Weight393.32 g/mol
Exact Mass391.98
IUPAC Name1-(4-chlorophenyl)-3-(3-chloro-4-propan-2-ylsulfonylthiophen-2-yl)urea
SMILESCC(C)S(=O)(=O)c1csc(NC(=O)Nc2ccc(Cl)cc2)c1Cl
InChIInChI=1S/C14H14Cl2N2O3S2/c1-8(2)23(20,21)11-7-22-13(12(11)16)18-14(19)17-10-5-3-9(15)4-6-10/h3-8H,1-2H3,(H2,17,18,19)
InChIKeyOUGHAXAUJATQGA-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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Related Compounds

N-(4-chlorophenyl)-N'-[4-(isopropylsulfonyl)-2-thienyl]urea
CID 2820034
1-(4-Chlorophenyl)-3-(4-(methylsulfonyl)phenyl)urea
CID 44447101
1-(4-Chlorophenyl)-3-[5-(3-methylsulfonylphenyl)thiophen-2-yl]urea
CID 155436516
N-[2-({[(4-chlorophenyl)amino]carbonyl}amino)phenyl]-2-thiophenesulfonamide
CID 2322195
N-(2-chlorophenyl)-N'-thien-2-ylurea
CID 3238296
N-[3-chloro-4-(isopropylsulfonyl)-2-thienyl]-N'-(2,5-dichlorophenyl)urea
CID 2820006
1-(3-Chloro-4-propan-2-ylsulfonyl-2-thiophenyl)-3-(3-nitrophenyl)urea
CID 2820009
1-(4-Chloro-phenyl)-3-(2,5-dichloro-thiophen-3-yl)-urea
CID 597575
1-(4-Chlorophenyl)-3-(3-methylsulfonyl-6,7-dihydro-2-benzothiophen-1-yl)urea
CID 2820694
1-[5-Tert-butyl-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-3-(4-chlorophenyl)urea
CID 11655437
1-(4-Chlorophenyl)-3-[2-(thiophen-2-yl)ethyl]urea
CID 6457397
1-(4-Chlorophenyl)-3-(thiophen-2-ylmethyl)urea
CID 858202

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(3-chloro-4-propan-2-ylsulfonylthiophen-2-yl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(3-chloro-4-propan-2-ylsulfonylthiophen-2-yl)urea (CID 2819678) is 1-(4-chlorophenyl)-3-(3-chloro-4-propan-2-ylsulfonylthiophen-2-yl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(3-chloro-4-propan-2-ylsulfonylthiophen-2-yl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(3-chloro-4-propan-2-ylsulfonylthiophen-2-yl)urea is CC(C)S(=O)(=O)c1csc(NC(=O)Nc2ccc(Cl)cc2)c1Cl.
What is the InChIKey of 1-(4-chlorophenyl)-3-(3-chloro-4-propan-2-ylsulfonylthiophen-2-yl)urea?
The InChIKey is OUGHAXAUJATQGA-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)17-10-5-3-9(15)4-6-10/h3-8H,1-2H3,(H2,17,18,19).
What are the key properties of 1-(4-chlorophenyl)-3-(3-chloro-4-propan-2-ylsulfonylthiophen-2-yl)urea?
1-(4-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-(4-chlorophenyl)-3-(3-chloro-4-propan-2-ylsulfonylthiophen-2-yl)urea is sourced from PubChem (CID 2819678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).