1-(benzenesulfonyl)-3-(4-tert-butylphenyl)urea

C17H20N2O3S — CID 58646054

IUPAC1-(benzenesulfonyl)-3-(4-tert-butylphenyl)urea
SMILESCC(C)(C)c1ccc(NC(=O)NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C17H20N2O3S/c1-17(2,3)13-9-11-14(12-10-13)18-16(20)19-23(21,22)15-7-5-4-6-8-15/h4-12H,1-3H3,(H2,18,19,20)
InChIKeyBOUCVKUFNYFFOT-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.49
Rot. Bonds3

About 1-(benzenesulfonyl)-3-(4-tert-butylphenyl)urea

1-(benzenesulfonyl)-3-(4-tert-butylphenyl)urea (PubChem CID 58646054) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-(4-tert-butylphenyl)urea.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-(4-tert-butylphenyl)urea
PubChem CID58646054
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name1-(benzenesulfonyl)-3-(4-tert-butylphenyl)urea
SMILESCC(C)(C)c1ccc(NC(=O)NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C17H20N2O3S/c1-17(2,3)13-9-11-14(12-10-13)18-16(20)19-23(21,22)15-7-5-4-6-8-15/h4-12H,1-3H3,(H2,18,19,20)
InChIKeyBOUCVKUFNYFFOT-UHFFFAOYSA-N
XLogP3.49
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-tert-butylphenyl)sulfonylamino]-3-phenylurea
CID 17429773
1-(benzenesulfonyl)-3-(3,4-dimethylphenyl)urea;ethane
CID 91616190
1-(benzenesulfonyl)-3-[3-(benzenesulfonylcarbamoylamino)-4-methylphenyl]urea
CID 19607159
1-(4-tert-butylphenyl)sulfonyl-3-(2-phenylethyl)urea
CID 141051809
1-[3-(tert-butylcarbamothioylamino)phenyl]sulfonyl-3-phenylurea
CID 139878364
1-(4-methylphenyl)sulfonyl-3-[4-[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonylphenyl]urea
CID 19387730
N-[4-[[3-[(4-benzamidophenyl)sulfonylcarbamoylamino]-4-methylphenyl]carbamoylsulfamoyl]phenyl]benzamide
CID 139878369
phenyl N-(4-tert-butylphenyl)sulfonylcarbamate
CID 134553479
phenyl 4-[(4-methylphenyl)sulfonylcarbamoylamino]benzenesulfonate
CID 22564943
1-(4-hydroxyphenyl)-3-(4-methylphenyl)sulfonylurea
CID 5268819
3-(benzenesulfonylcarbamoylamino)-N-methylbenzamide
CID 22564876
N'-(4-tert-butylphenyl)-N-phenylpropanediamide
CID 108952831

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-(4-tert-butylphenyl)urea?
The IUPAC name of 1-(benzenesulfonyl)-3-(4-tert-butylphenyl)urea (CID 58646054) is 1-(benzenesulfonyl)-3-(4-tert-butylphenyl)urea.
What is the SMILES notation for 1-(benzenesulfonyl)-3-(4-tert-butylphenyl)urea?
The canonical SMILES for 1-(benzenesulfonyl)-3-(4-tert-butylphenyl)urea is CC(C)(C)c1ccc(NC(=O)NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 1-(benzenesulfonyl)-3-(4-tert-butylphenyl)urea?
The InChIKey is BOUCVKUFNYFFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-17(2,3)13-9-11-14(12-10-13)18-16(20)19-23(21,22)15-7-5-4-6-8-15/h4-12H,1-3H3,(H2,18,19,20).
What are the key properties of 1-(benzenesulfonyl)-3-(4-tert-butylphenyl)urea?
1-(benzenesulfonyl)-3-(4-tert-butylphenyl)urea has a molecular weight of 332.43 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-(4-tert-butylphenyl)urea is sourced from PubChem (CID 58646054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).