1-(4-tert-butylphenyl)sulfinyl-3-(4-chlorophenyl)urea

C17H19ClN2O2S — CID 10665600

IUPAC1-(4-tert-butylphenyl)sulfinyl-3-(4-chlorophenyl)urea
SMILESCC(C)(C)c1ccc(S(=O)NC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H19ClN2O2S/c1-17(2,3)12-4-10-15(11-5-12)23(22)20-16(21)19-14-8-6-13(18)7-9-14/h4-11H,1-3H3,(H2,19,20,21)
InChIKeyXLTOKKNIECWZSQ-UHFFFAOYSA-N
MW350.87 g/mol
LogP4.48
Rot. Bonds3

About 1-(4-tert-butylphenyl)sulfinyl-3-(4-chlorophenyl)urea

1-(4-tert-butylphenyl)sulfinyl-3-(4-chlorophenyl)urea (PubChem CID 10665600) has the molecular formula C17H19ClN2O2S and a molecular weight of 350.87 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)sulfinyl-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)sulfinyl-3-(4-chlorophenyl)urea
PubChem CID10665600
Molecular FormulaC17H19ClN2O2S
Molecular Weight350.87 g/mol
Exact Mass350.09
IUPAC Name1-(4-tert-butylphenyl)sulfinyl-3-(4-chlorophenyl)urea
SMILESCC(C)(C)c1ccc(S(=O)NC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H19ClN2O2S/c1-17(2,3)12-4-10-15(11-5-12)23(22)20-16(21)19-14-8-6-13(18)7-9-14/h4-11H,1-3H3,(H2,19,20,21)
InChIKeyXLTOKKNIECWZSQ-UHFFFAOYSA-N
XLogP4.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-tert-butylbenzoyl)amino]-3-(4-chlorophenyl)urea
CID 840661
1-(4-tert-butylphenyl)-3-[(4-chlorophenyl)methyl]urea
CID 108884751
1-tert-butyl-3-(4-chlorophenyl)urea
CID 709303
N-[4-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]phenyl]acetamide
CID 113216358
1-(4-tert-butylphenyl)-3-(chloromethyl)urea
CID 142021832
3-(4-tert-butylphenyl)-N-(4-chlorophenyl)propanamide
CID 19221191
4-tert-butyl-N-(4-chlorophenyl)aniline
CID 15533800
1-(4-tert-butylphenyl)-3-(3,4,5-trihydroxyphenyl)urea
CID 108871893
1-(4-tert-butylphenyl)-3-(3-chloro-4-methylphenyl)urea
CID 108884728
(2R)-N-(4-chlorophenyl)-3-[(S)-(4-chlorophenyl)sulfinyl]-2-hydroxy-2-methylpropanamide
CID 40512925
N-(4-tert-butylphenyl)-2-(2,4-dichlorophenyl)acetamide
CID 7914224
1-(4-tert-butylphenyl)-3-methoxyurea
CID 154930476

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)sulfinyl-3-(4-chlorophenyl)urea?
The IUPAC name of 1-(4-tert-butylphenyl)sulfinyl-3-(4-chlorophenyl)urea (CID 10665600) is 1-(4-tert-butylphenyl)sulfinyl-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-(4-tert-butylphenyl)sulfinyl-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-(4-tert-butylphenyl)sulfinyl-3-(4-chlorophenyl)urea is CC(C)(C)c1ccc(S(=O)NC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)sulfinyl-3-(4-chlorophenyl)urea?
The InChIKey is XLTOKKNIECWZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2S/c1-17(2,3)12-4-10-15(11-5-12)23(22)20-16(21)19-14-8-6-13(18)7-9-14/h4-11H,1-3H3,(H2,19,20,21).
What are the key properties of 1-(4-tert-butylphenyl)sulfinyl-3-(4-chlorophenyl)urea?
1-(4-tert-butylphenyl)sulfinyl-3-(4-chlorophenyl)urea has a molecular weight of 350.87 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)sulfinyl-3-(4-chlorophenyl)urea is sourced from PubChem (CID 10665600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).