1,3-bis[(2,5-dimethylphenyl)sulfonyl]urea

C17H20N2O5S2 — CID 134090359

IUPAC1,3-bis[(2,5-dimethylphenyl)sulfonyl]urea
SMILESCc1ccc(C)c(S(=O)(=O)NC(=O)NS(=O)(=O)c2cc(C)ccc2C)c1
InChIInChI=1S/C17H20N2O5S2/c1-11-5-7-13(3)15(9-11)25(21,22)18-17(20)19-26(23,24)16-10-12(2)6-8-14(16)4/h5-10H,1-4H3,(H2,18,19,20)
InChIKeyUTKQJBLKZUOCOA-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.30
Rot. Bonds4

About 1,3-bis[(2,5-dimethylphenyl)sulfonyl]urea

1,3-bis[(2,5-dimethylphenyl)sulfonyl]urea (PubChem CID 134090359) has the molecular formula C17H20N2O5S2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 1,3-bis[(2,5-dimethylphenyl)sulfonyl]urea.

Molecular Properties

Compound Name1,3-bis[(2,5-dimethylphenyl)sulfonyl]urea
PubChem CID134090359
Molecular FormulaC17H20N2O5S2
Molecular Weight396.49 g/mol
Exact Mass396.08
IUPAC Name1,3-bis[(2,5-dimethylphenyl)sulfonyl]urea
SMILESCc1ccc(C)c(S(=O)(=O)NC(=O)NS(=O)(=O)c2cc(C)ccc2C)c1
InChIInChI=1S/C17H20N2O5S2/c1-11-5-7-13(3)15(9-11)25(21,22)18-17(20)19-26(23,24)16-10-12(2)6-8-14(16)4/h5-10H,1-4H3,(H2,18,19,20)
InChIKeyUTKQJBLKZUOCOA-UHFFFAOYSA-N
XLogP2.30
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1,3-bis[(2,5-dimethylphenyl)sulfonyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-chloro-1,3,4-thiadiazol-2-yl)-3-(2,5-dimethylphenyl)sulfonylurea
CID 24834715
1,3-bis[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]urea
CID 170548873
N-(2,5-dimethylphenyl)sulfonyl-2-ethoxyacetamide
CID 146132180
N-(2,5-dimethylphenyl)sulfonyl-4-methoxybutanamide
CID 47269187
2-[(2,5-dimethylphenyl)sulfonylamino]acetamide
CID 9189431
2-[(2,5-dimethylphenyl)sulfonylamino]-3-methylbutanoate
CID 78429212
N-[4-[[(2,5-dimethylphenyl)sulfonylamino]sulfamoyl]phenyl]acetamide
CID 8523585
N-(2,5-dimethylphenyl)sulfonyl-4-ethoxybutanamide
CID 47269188
6-acetamido-N-(2,5-dimethylphenyl)sulfonylhexanamide
CID 47052057
N-(2,6-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 8504690
N-[(2R)-1-hydroxypropan-2-yl]-2,5-dimethylbenzenesulfonamide
CID 39086779
2,5-dimethylbenzenesulfonic acid;ethane
CID 144520700

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(2,5-dimethylphenyl)sulfonyl]urea?
The IUPAC name of 1,3-bis[(2,5-dimethylphenyl)sulfonyl]urea (CID 134090359) is 1,3-bis[(2,5-dimethylphenyl)sulfonyl]urea.
What is the SMILES notation for 1,3-bis[(2,5-dimethylphenyl)sulfonyl]urea?
The canonical SMILES for 1,3-bis[(2,5-dimethylphenyl)sulfonyl]urea is Cc1ccc(C)c(S(=O)(=O)NC(=O)NS(=O)(=O)c2cc(C)ccc2C)c1.
What is the InChIKey of 1,3-bis[(2,5-dimethylphenyl)sulfonyl]urea?
The InChIKey is UTKQJBLKZUOCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S2/c1-11-5-7-13(3)15(9-11)25(21,22)18-17(20)19-26(23,24)16-10-12(2)6-8-14(16)4/h5-10H,1-4H3,(H2,18,19,20).
What are the key properties of 1,3-bis[(2,5-dimethylphenyl)sulfonyl]urea?
1,3-bis[(2,5-dimethylphenyl)sulfonyl]urea has a molecular weight of 396.49 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(2,5-dimethylphenyl)sulfonyl]urea is sourced from PubChem (CID 134090359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).