1-[(4-chlorophenyl)methyl]-3-(4-cyclopropylsulfonylphenyl)urea

C17H17ClN2O3S — CID 156824669

IUPAC1-[(4-chlorophenyl)methyl]-3-(4-cyclopropylsulfonylphenyl)urea
SMILESO=C(NCc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)C2CC2)cc1
InChIInChI=1S/C17H17ClN2O3S/c18-13-3-1-12(2-4-13)11-19-17(21)20-14-5-7-15(8-6-14)24(22,23)16-9-10-16/h1-8,16H,9-11H2,(H2,19,20,21)
InChIKeyBLEHVKGIFOIUOI-UHFFFAOYSA-N
MW364.85 g/mol
LogP3.60
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-3-(4-cyclopropylsulfonylphenyl)urea

1-[(4-chlorophenyl)methyl]-3-(4-cyclopropylsulfonylphenyl)urea (PubChem CID 156824669) has the molecular formula C17H17ClN2O3S and a molecular weight of 364.85 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-(4-cyclopropylsulfonylphenyl)urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-(4-cyclopropylsulfonylphenyl)urea
PubChem CID156824669
Molecular FormulaC17H17ClN2O3S
Molecular Weight364.85 g/mol
Exact Mass364.06
IUPAC Name1-[(4-chlorophenyl)methyl]-3-(4-cyclopropylsulfonylphenyl)urea
SMILESO=C(NCc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)C2CC2)cc1
InChIInChI=1S/C17H17ClN2O3S/c18-13-3-1-12(2-4-13)11-19-17(21)20-14-5-7-15(8-6-14)24(22,23)16-9-10-16/h1-8,16H,9-11H2,(H2,19,20,21)
InChIKeyBLEHVKGIFOIUOI-UHFFFAOYSA-N
XLogP3.60
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]urea
CID 108782077
1-[(4-bromophenyl)methyl]-3-(4-chlorophenyl)urea
CID 60968991
1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea
CID 2982210
1-[4-(aminomethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea;hydrochloride
CID 166173336
1-[(4-cyclopropylphenyl)methyl]-3-(4-methylsulfonylphenyl)urea
CID 119047504
1-(4-chlorophenyl)-3-[(4-propan-2-ylphenyl)methyl]urea
CID 172617530
1-(4-tert-butylphenyl)-3-[(4-chlorophenyl)methyl]urea
CID 108884751
1-N'-(4-chlorophenyl)-1-N-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108976103
1-tert-butyl-3-[(4-cyclopentylsulfonylphenyl)methyl]urea
CID 110775358
1-[(4-chlorophenyl)methyl]-3-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]urea
CID 97427698
1-[4-(1-aminoethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea
CID 61340890
1-(3,5-dichlorophenyl)-3-[[4-(dimethylsulfamoyl)phenyl]methyl]urea
CID 47038787

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(4-cyclopropylsulfonylphenyl)urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(4-cyclopropylsulfonylphenyl)urea (CID 156824669) is 1-[(4-chlorophenyl)methyl]-3-(4-cyclopropylsulfonylphenyl)urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-(4-cyclopropylsulfonylphenyl)urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-(4-cyclopropylsulfonylphenyl)urea is O=C(NCc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)C2CC2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-(4-cyclopropylsulfonylphenyl)urea?
The InChIKey is BLEHVKGIFOIUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3S/c18-13-3-1-12(2-4-13)11-19-17(21)20-14-5-7-15(8-6-14)24(22,23)16-9-10-16/h1-8,16H,9-11H2,(H2,19,20,21).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-(4-cyclopropylsulfonylphenyl)urea?
1-[(4-chlorophenyl)methyl]-3-(4-cyclopropylsulfonylphenyl)urea has a molecular weight of 364.85 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-(4-cyclopropylsulfonylphenyl)urea is sourced from PubChem (CID 156824669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).