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

C15H13ClF3N3O3S — CID 70689873

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(sulfamoylmethyl)phenyl]urea
SMILESNS(=O)(=O)Cc1ccccc1NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C15H13ClF3N3O3S/c16-12-6-5-10(7-11(12)15(17,18)19)21-14(23)22-13-4-2-1-3-9(13)8-26(20,24)25/h1-7H,8H2,(H2,20,24,25)(H2,21,22,23)
InChIKeyRXIQXHCBHUYPPK-UHFFFAOYSA-N
MW407.80 g/mol
LogP3.79
Rot. Bonds4

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

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(sulfamoylmethyl)phenyl]urea (PubChem CID 70689873) has the molecular formula C15H13ClF3N3O3S and a molecular weight of 407.80 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(sulfamoylmethyl)phenyl]urea.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(sulfamoylmethyl)phenyl]urea
PubChem CID70689873
Molecular FormulaC15H13ClF3N3O3S
Molecular Weight407.80 g/mol
Exact Mass407.03
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(sulfamoylmethyl)phenyl]urea
SMILESNS(=O)(=O)Cc1ccccc1NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C15H13ClF3N3O3S/c16-12-6-5-10(7-11(12)15(17,18)19)21-14(23)22-13-4-2-1-3-9(13)8-26(20,24)25/h1-7H,8H2,(H2,20,24,25)(H2,21,22,23)
InChIKeyRXIQXHCBHUYPPK-UHFFFAOYSA-N
XLogP3.79
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.80
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Halocarban
CID 9719
Flucofuron
CID 67788
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 4532427
1-[4-Chloranyl-3-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 60446869
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-[(4-sulfamoylphenyl)methyl]urea
CID 127573780
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-(7-sulfamoylnaphthalen-1-yl)urea
CID 70687841
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)urea
CID 127567366
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-(3-sulfamoylphenyl)urea
CID 155550618
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-[7-(methanesulfonamido)naphthalen-1-yl]urea
CID 69830044
LY 181984
CID 160725
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-(2-sulfamoylphenyl)urea
CID 70685687
1-[2-(2-Aminoethyl)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 70694078

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(sulfamoylmethyl)phenyl]urea?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(sulfamoylmethyl)phenyl]urea (CID 70689873) is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(sulfamoylmethyl)phenyl]urea.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(sulfamoylmethyl)phenyl]urea?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(sulfamoylmethyl)phenyl]urea is NS(=O)(=O)Cc1ccccc1NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(sulfamoylmethyl)phenyl]urea?
The InChIKey is RXIQXHCBHUYPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N3O3S/c16-12-6-5-10(7-11(12)15(17,18)19)21-14(23)22-13-4-2-1-3-9(13)8-26(20,24)25/h1-7H,8H2,(H2,20,24,25)(H2,21,22,23).
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(sulfamoylmethyl)phenyl]urea?
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(sulfamoylmethyl)phenyl]urea has a molecular weight of 407.80 g/mol, XLogP of 3.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(sulfamoylmethyl)phenyl]urea is sourced from PubChem (CID 70689873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).