1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(7-sulfamoylnaphthalen-1-yl)urea

C18H13ClF3N3O3S — CID 70687841

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(7-sulfamoylnaphthalen-1-yl)urea
SMILESNS(=O)(=O)c1ccc2cccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2c1
InChIInChI=1S/C18H13ClF3N3O3S/c19-15-7-5-11(8-14(15)18(20,21)22)24-17(26)25-16-3-1-2-10-4-6-12(9-13(10)16)29(23,27)28/h1-9H,(H2,23,27,28)(H2,24,25,26)
InChIKeyZCGDVVBZZYKINE-UHFFFAOYSA-N
MW443.83 g/mol
LogP4.80
Rot. Bonds3

About 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(7-sulfamoylnaphthalen-1-yl)urea

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(7-sulfamoylnaphthalen-1-yl)urea (PubChem CID 70687841) has the molecular formula C18H13ClF3N3O3S and a molecular weight of 443.83 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(7-sulfamoylnaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(7-sulfamoylnaphthalen-1-yl)urea
PubChem CID70687841
Molecular FormulaC18H13ClF3N3O3S
Molecular Weight443.83 g/mol
Exact Mass443.03
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(7-sulfamoylnaphthalen-1-yl)urea
SMILESNS(=O)(=O)c1ccc2cccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2c1
InChIInChI=1S/C18H13ClF3N3O3S/c19-15-7-5-11(8-14(15)18(20,21)22)24-17(26)25-16-3-1-2-10-4-6-12(9-13(10)16)29(23,27)28/h1-9H,(H2,23,27,28)(H2,24,25,26)
InChIKeyZCGDVVBZZYKINE-UHFFFAOYSA-N
XLogP4.80
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.83
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(7-sulfamoylnaphthalen-1-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(7-Aminonaphthalen-1-yl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 69830874
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-[2-(sulfamoylmethyl)phenyl]urea
CID 70689873
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
1-(4-Chlorophenyl)-3-[2-phenyl-5-(2,2,2-trifluoroethylsulfamoyl)phenyl]urea
CID 90145584
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-(2-sulfamoylphenyl)urea
CID 70685687
N-[(4-methylphenyl)sulfonyl](naphthylamino)carboxamide
CID 2374251
1-(4-Chlorophenyl)-3-(3,4-dimethylphenyl)sulfonylurea
CID 14480026
1-(4-Chlorophenyl)-3-(3,4-diethylphenyl)sulfonylurea
CID 14480029

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(7-sulfamoylnaphthalen-1-yl)urea?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(7-sulfamoylnaphthalen-1-yl)urea (CID 70687841) is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(7-sulfamoylnaphthalen-1-yl)urea.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(7-sulfamoylnaphthalen-1-yl)urea?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(7-sulfamoylnaphthalen-1-yl)urea is NS(=O)(=O)c1ccc2cccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2c1.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(7-sulfamoylnaphthalen-1-yl)urea?
The InChIKey is ZCGDVVBZZYKINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3N3O3S/c19-15-7-5-11(8-14(15)18(20,21)22)24-17(26)25-16-3-1-2-10-4-6-12(9-13(10)16)29(23,27)28/h1-9H,(H2,23,27,28)(H2,24,25,26).
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(7-sulfamoylnaphthalen-1-yl)urea?
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(7-sulfamoylnaphthalen-1-yl)urea has a molecular weight of 443.83 g/mol, XLogP of 4.80, 3 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-(7-sulfamoylnaphthalen-1-yl)urea is sourced from PubChem (CID 70687841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).