1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-sulfamoylphenyl)urea

C15H16FN3O4S — CID 42958119

IUPAC1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)NCC(O)c2ccccc2F)cc1
InChIInChI=1S/C15H16FN3O4S/c16-13-4-2-1-3-12(13)14(20)9-18-15(21)19-10-5-7-11(8-6-10)24(17,22)23/h1-8,14,20H,9H2,(H2,17,22,23)(H2,18,19,21)
InChIKeyVXWZPOHALWDPQG-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.33
Rot. Bonds5

About 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-sulfamoylphenyl)urea

1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-sulfamoylphenyl)urea (PubChem CID 42958119) has the molecular formula C15H16FN3O4S and a molecular weight of 353.38 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-sulfamoylphenyl)urea
PubChem CID42958119
Molecular FormulaC15H16FN3O4S
Molecular Weight353.38 g/mol
Exact Mass353.08
IUPAC Name1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)NCC(O)c2ccccc2F)cc1
InChIInChI=1S/C15H16FN3O4S/c16-13-4-2-1-3-12(13)14(20)9-18-15(21)19-10-5-7-11(8-6-10)24(17,22)23/h1-8,14,20H,9H2,(H2,17,22,23)(H2,18,19,21)
InChIKeyVXWZPOHALWDPQG-UHFFFAOYSA-N
XLogP1.33
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-(4-sulfamoylphenyl)urea
CID 46445537
N-[4-[[2-(2-fluorophenyl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide
CID 51080282
1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-methylphenyl)urea
CID 51939745
1-(4-ethylphenyl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 51944583
1-(4-cyanophenyl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 51724842
1-(3,5-difluorophenyl)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 94811823
1-(3-fluorophenyl)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 94809233
1-(1,3-benzodioxol-5-yl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 52580627
1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-phenylurea
CID 51729222
N'-(4-chlorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]oxamide
CID 110893729
1-(3-ethynylphenyl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 75877588
1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea
CID 42959013

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-sulfamoylphenyl)urea (CID 42958119) is 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-sulfamoylphenyl)urea is NS(=O)(=O)c1ccc(NC(=O)NCC(O)c2ccccc2F)cc1.
What is the InChIKey of 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-sulfamoylphenyl)urea?
The InChIKey is VXWZPOHALWDPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O4S/c16-13-4-2-1-3-12(13)14(20)9-18-15(21)19-10-5-7-11(8-6-10)24(17,22)23/h1-8,14,20H,9H2,(H2,17,22,23)(H2,18,19,21).
What are the key properties of 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-sulfamoylphenyl)urea?
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-sulfamoylphenyl)urea has a molecular weight of 353.38 g/mol, XLogP of 1.33, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 42958119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).