1-(2-sulfamoylethyl)-3-[4-(trifluoromethyl)phenyl]urea

C10H12F3N3O3S — CID 60799942

IUPAC1-(2-sulfamoylethyl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESNS(=O)(=O)CCNC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H12F3N3O3S/c11-10(12,13)7-1-3-8(4-2-7)16-9(17)15-5-6-20(14,18)19/h1-4H,5-6H2,(H2,14,18,19)(H2,15,16,17)
InChIKeyYSBNSVVXAMXISF-UHFFFAOYSA-N
MW311.29 g/mol
LogP1.12
Rot. Bonds4

About 1-(2-sulfamoylethyl)-3-[4-(trifluoromethyl)phenyl]urea

1-(2-sulfamoylethyl)-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 60799942) has the molecular formula C10H12F3N3O3S and a molecular weight of 311.29 g/mol. Its IUPAC name is 1-(2-sulfamoylethyl)-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-sulfamoylethyl)-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID60799942
Molecular FormulaC10H12F3N3O3S
Molecular Weight311.29 g/mol
Exact Mass311.06
IUPAC Name1-(2-sulfamoylethyl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESNS(=O)(=O)CCNC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H12F3N3O3S/c11-10(12,13)7-1-3-8(4-2-7)16-9(17)15-5-6-20(14,18)19/h1-4H,5-6H2,(H2,14,18,19)(H2,15,16,17)
InChIKeyYSBNSVVXAMXISF-UHFFFAOYSA-N
XLogP1.12
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1-hydroxyethyl)phenyl]-3-(2-sulfamoylethyl)urea
CID 61342170
1-(3-hydrazinyl-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 67816843
1-(4-aminobutyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 55102555
1-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 2813478
1-(3-amino-3-hydroxyiminopropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 76953073
1-[(3S)-4,4,4-trifluoro-3-hydroxybutyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 95980208
1-(4-methylphenyl)-3-(3-sulfamoylpropyl)urea
CID 61131417
1-[3-(dimethylamino)propyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 108896244
N-[4-(sulfamoylmethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55548784
1-[3-(2-aminoethoxy)propyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 106308105
1-(2-aminopropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 63732530
2-hydroxy-4-(2-sulfamoylethylcarbamoylamino)benzoic acid
CID 61202066

Frequently Asked Questions

What is the IUPAC name of 1-(2-sulfamoylethyl)-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(2-sulfamoylethyl)-3-[4-(trifluoromethyl)phenyl]urea (CID 60799942) is 1-(2-sulfamoylethyl)-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(2-sulfamoylethyl)-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(2-sulfamoylethyl)-3-[4-(trifluoromethyl)phenyl]urea is NS(=O)(=O)CCNC(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(2-sulfamoylethyl)-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is YSBNSVVXAMXISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O3S/c11-10(12,13)7-1-3-8(4-2-7)16-9(17)15-5-6-20(14,18)19/h1-4H,5-6H2,(H2,14,18,19)(H2,15,16,17).
What are the key properties of 1-(2-sulfamoylethyl)-3-[4-(trifluoromethyl)phenyl]urea?
1-(2-sulfamoylethyl)-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 311.29 g/mol, XLogP of 1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-sulfamoylethyl)-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 60799942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).