1-(3-sulfamoylphenyl)-3-[3-(trifluoromethyl)phenyl]urea

C14H12F3N3O3S — CID 2812934

IUPAC1-(3-sulfamoylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESNS(=O)(=O)c1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H12F3N3O3S/c15-14(16,17)9-3-1-4-10(7-9)19-13(21)20-11-5-2-6-12(8-11)24(18,22)23/h1-8H,(H2,18,22,23)(H2,19,20,21)
InChIKeyLAHACCBCOVQCEG-UHFFFAOYSA-N
MW359.33 g/mol
LogP3.00
Rot. Bonds3

About 1-(3-sulfamoylphenyl)-3-[3-(trifluoromethyl)phenyl]urea

1-(3-sulfamoylphenyl)-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 2812934) has the molecular formula C14H12F3N3O3S and a molecular weight of 359.33 g/mol. Its IUPAC name is 1-(3-sulfamoylphenyl)-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(3-sulfamoylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID2812934
Molecular FormulaC14H12F3N3O3S
Molecular Weight359.33 g/mol
Exact Mass359.06
IUPAC Name1-(3-sulfamoylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESNS(=O)(=O)c1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H12F3N3O3S/c15-14(16,17)9-3-1-4-10(7-9)19-13(21)20-11-5-2-6-12(8-11)24(18,22)23/h1-8H,(H2,18,22,23)(H2,19,20,21)
InChIKeyLAHACCBCOVQCEG-UHFFFAOYSA-N
XLogP3.00
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Slc-0111
CID 310360
1-Phenyl-3-(p-toluenesulfonyl)urea
CID 847415
3-(3-Phenyl-ureido)-benzenesulfonamide
CID 2812287
4-[(Anilinocarbonyl)amino]benzenesulfonamide
CID 306924
1-Phenyl-3-(3-(trifluoromethyl)phenyl)urea
CID 265996
1-(2-Cyanophenyl)-3-(4-sulfamoylphenyl)urea
CID 2476733
4-({[4-(Trifluoromethyl)anilino]carbonyl}amino)benzenesulfonamide
CID 2813478
N-({[4-(Aminosulfonyl)phenyl]amino}carbonyl)-4-methylbenzenesulfonamide
CID 6852128
1-Phenyl-3-(2-(4-sulfamoylphenyl)ethyl)urea
CID 4229592
Benzenesulfonamide, 4-[[[(phenylamino)carbonyl]amino]methyl]-
CID 10614528
4-{[(Pentafluorophenyl)carbamoyl]amino}benzenesulfonamide
CID 11245996
N-{4''-[(trifluoromethyl)sulfonyl]-4-biphenyl}urea
CID 11695867

Frequently Asked Questions

What is the IUPAC name of 1-(3-sulfamoylphenyl)-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(3-sulfamoylphenyl)-3-[3-(trifluoromethyl)phenyl]urea (CID 2812934) is 1-(3-sulfamoylphenyl)-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(3-sulfamoylphenyl)-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(3-sulfamoylphenyl)-3-[3-(trifluoromethyl)phenyl]urea is NS(=O)(=O)c1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 1-(3-sulfamoylphenyl)-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is LAHACCBCOVQCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O3S/c15-14(16,17)9-3-1-4-10(7-9)19-13(21)20-11-5-2-6-12(8-11)24(18,22)23/h1-8H,(H2,18,22,23)(H2,19,20,21).
What are the key properties of 1-(3-sulfamoylphenyl)-3-[3-(trifluoromethyl)phenyl]urea?
1-(3-sulfamoylphenyl)-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 359.33 g/mol, XLogP of 3.00, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-sulfamoylphenyl)-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 2812934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).