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

C16H18FN3O3S — CID 108901185

IUPAC1-[2-(3-fluorophenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea
SMILESNS(=O)(=O)c1ccc(CNC(=O)NCCc2cccc(F)c2)cc1
InChIInChI=1S/C16H18FN3O3S/c17-14-3-1-2-12(10-14)8-9-19-16(21)20-11-13-4-6-15(7-5-13)24(18,22)23/h1-7,10H,8-9,11H2,(H2,18,22,23)(H2,19,20,21)
InChIKeySGJICTZFAAJSGQ-UHFFFAOYSA-N
MW351.40 g/mol
LogP1.51
Rot. Bonds6

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

1-[2-(3-fluorophenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea (PubChem CID 108901185) has the molecular formula C16H18FN3O3S and a molecular weight of 351.40 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea
PubChem CID108901185
Molecular FormulaC16H18FN3O3S
Molecular Weight351.40 g/mol
Exact Mass351.11
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea
SMILESNS(=O)(=O)c1ccc(CNC(=O)NCCc2cccc(F)c2)cc1
InChIInChI=1S/C16H18FN3O3S/c17-14-3-1-2-12(10-14)8-9-19-16(21)20-11-13-4-6-15(7-5-13)24(18,22)23/h1-7,10H,8-9,11H2,(H2,18,22,23)(H2,19,20,21)
InChIKeySGJICTZFAAJSGQ-UHFFFAOYSA-N
XLogP1.51
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-fluorophenyl)ethyl]-3-[(3-fluorophenyl)methyl]urea
CID 108898570
1-[(3-fluorophenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 108898468
1-[(3-fluorophenyl)methyl]-3-(2-phenylethyl)urea
CID 47172429
1-[(E)-2-(3-fluorophenyl)ethenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108906290
2-(benzylcarbamoylamino)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 34450279
1-[2-(3-fluorophenyl)ethyl]-3-(2-methylsulfonylethyl)urea
CID 47481358
1-[(3-fluorophenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108898465
1-[2-(3-fluorophenyl)ethyl]-2-methyl-3-[(3-sulfamoylphenyl)methyl]guanidine;hydroiodide
CID 111395418
1-[2-(3,5-difluorophenyl)ethyl]-3-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]urea
CID 119047130
1-(4-phenylbutyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 118398414
N-[2-(3-fluorophenyl)ethyl]-2-hydrazinyl-2-oxoacetamide
CID 43566530
1-[(4-bromophenyl)methyl]-3-[(3-fluorophenyl)methyl]urea
CID 108898606

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea (CID 108901185) is 1-[2-(3-fluorophenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea is NS(=O)(=O)c1ccc(CNC(=O)NCCc2cccc(F)c2)cc1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea?
The InChIKey is SGJICTZFAAJSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3S/c17-14-3-1-2-12(10-14)8-9-19-16(21)20-11-13-4-6-15(7-5-13)24(18,22)23/h1-7,10H,8-9,11H2,(H2,18,22,23)(H2,19,20,21).
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea?
1-[2-(3-fluorophenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea has a molecular weight of 351.40 g/mol, XLogP of 1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea is sourced from PubChem (CID 108901185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).