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

C14H15ClN2O3S2 — CID 2820049

IUPAC1-(3-chlorophenyl)-3-(4-propan-2-ylsulfonylthiophen-2-yl)urea
SMILESCC(C)S(=O)(=O)c1csc(NC(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C14H15ClN2O3S2/c1-9(2)22(19,20)12-7-13(21-8-12)17-14(18)16-11-5-3-4-10(15)6-11/h3-9H,1-2H3,(H2,16,17,18)
InChIKeyYQSXAMAXOKJEPC-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.23
Rot. Bonds4

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

1-(3-chlorophenyl)-3-(4-propan-2-ylsulfonylthiophen-2-yl)urea (PubChem CID 2820049) has the molecular formula C14H15ClN2O3S2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(4-propan-2-ylsulfonylthiophen-2-yl)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(4-propan-2-ylsulfonylthiophen-2-yl)urea
PubChem CID2820049
Molecular FormulaC14H15ClN2O3S2
Molecular Weight358.87 g/mol
Exact Mass358.02
IUPAC Name1-(3-chlorophenyl)-3-(4-propan-2-ylsulfonylthiophen-2-yl)urea
SMILESCC(C)S(=O)(=O)c1csc(NC(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C14H15ClN2O3S2/c1-9(2)22(19,20)12-7-13(21-8-12)17-14(18)16-11-5-3-4-10(15)6-11/h3-9H,1-2H3,(H2,16,17,18)
InChIKeyYQSXAMAXOKJEPC-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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Related Compounds

N-(3-chlorophenyl)-N'-(5-nitro-3-thienyl)urea
CID 2806294
N-[3-chloro-4-(isopropylsulfonyl)-2-thienyl]-N'-(4-chlorophenyl)urea
CID 2819678
N-(4-chlorophenyl)-N'-[4-(isopropylsulfonyl)-2-thienyl]urea
CID 2820034
1-(3-Chlorophenyl)-3-(thiophen-2-ylmethyl)thiourea
CID 2059105
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-(5-chloro-2-methylphenyl)-N'-thien-2-ylurea
CID 16195195
1-(5-Methylthiophen-2-yl)-3-[(4-sulfamoylphenyl)carbamothioyl]urea
CID 122179670
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-(3-Chlorophenyl)-3-[(3-chlorothiophen-2-yl)methyl]urea
CID 2808135

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(4-propan-2-ylsulfonylthiophen-2-yl)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(4-propan-2-ylsulfonylthiophen-2-yl)urea (CID 2820049) is 1-(3-chlorophenyl)-3-(4-propan-2-ylsulfonylthiophen-2-yl)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(4-propan-2-ylsulfonylthiophen-2-yl)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(4-propan-2-ylsulfonylthiophen-2-yl)urea is CC(C)S(=O)(=O)c1csc(NC(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(4-propan-2-ylsulfonylthiophen-2-yl)urea?
The InChIKey is YQSXAMAXOKJEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S2/c1-9(2)22(19,20)12-7-13(21-8-12)17-14(18)16-11-5-3-4-10(15)6-11/h3-9H,1-2H3,(H2,16,17,18).
What are the key properties of 1-(3-chlorophenyl)-3-(4-propan-2-ylsulfonylthiophen-2-yl)urea?
1-(3-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-(3-chlorophenyl)-3-(4-propan-2-ylsulfonylthiophen-2-yl)urea is sourced from PubChem (CID 2820049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).