1-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-(4-methylphenyl)sulfonylurea

C17H19FN2O4S — CID 110291410

IUPAC1-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)NCC(C)(O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H19FN2O4S/c1-12-3-9-15(10-4-12)25(23,24)20-16(21)19-11-17(2,22)13-5-7-14(18)8-6-13/h3-10,22H,11H2,1-2H3,(H2,19,20,21)
InChIKeyCERXCBOTZVSHQG-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.03
Rot. Bonds5

About 1-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-(4-methylphenyl)sulfonylurea

1-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-(4-methylphenyl)sulfonylurea (PubChem CID 110291410) has the molecular formula C17H19FN2O4S and a molecular weight of 366.41 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-(4-methylphenyl)sulfonylurea
PubChem CID110291410
Molecular FormulaC17H19FN2O4S
Molecular Weight366.41 g/mol
Exact Mass366.10
IUPAC Name1-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)NCC(C)(O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H19FN2O4S/c1-12-3-9-15(10-4-12)25(23,24)20-16(21)19-11-17(2,22)13-5-7-14(18)8-6-13/h3-10,22H,11H2,1-2H3,(H2,19,20,21)
InChIKeyCERXCBOTZVSHQG-UHFFFAOYSA-N
XLogP2.03
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(4-methylphenyl)sulfonylcarbamoylamino]acetate
CID 95561819
N-[2-(4-fluorophenyl)propan-2-yl]-4-methylbenzenesulfonamide
CID 110440972
N-[2-(4-fluorophenyl)-2-hydroxypropyl]-2,4-dimethylbenzenesulfonamide
CID 110291429
ethyl N-[2-(4-fluorophenyl)-2-hydroxypropyl]carbamate
CID 110291402
1-(4-methylphenyl)sulfonyl-3-[[5-[[(4-methylphenyl)sulfonylcarbamoylamino]methyl]furan-2-yl]methyl]urea
CID 19387723
4-fluoro-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-methylbenzenesulfonamide
CID 110291434
zinc 1-butyl-3-(4-methylphenyl)sulfonylurea
CID 54606239
1-(4-methylphenyl)sulfonyl-3-[3-(4-methylphenyl)sulfonylpropyl]urea
CID 157413928
1-(4-methylphenyl)sulfonyl-3-tetradecylurea
CID 21459633
1-(4-methylphenyl)sulfonyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 110747288
N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-propan-2-yloxybenzenesulfonamide
CID 110291474
N-[2-(4-fluorophenyl)-2-hydroxypropyl]-2-methylbenzenesulfonamide
CID 110291476

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-(4-methylphenyl)sulfonylurea (CID 110291410) is 1-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-(4-methylphenyl)sulfonylurea is Cc1ccc(S(=O)(=O)NC(=O)NCC(C)(O)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-(4-methylphenyl)sulfonylurea?
The InChIKey is CERXCBOTZVSHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4S/c1-12-3-9-15(10-4-12)25(23,24)20-16(21)19-11-17(2,22)13-5-7-14(18)8-6-13/h3-10,22H,11H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-(4-methylphenyl)sulfonylurea?
1-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-(4-methylphenyl)sulfonylurea has a molecular weight of 366.41 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 110291410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).