1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(4-sulfamoylphenyl)methyl]urea

C15H13ClF3N3O3S — CID 127573780

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(4-sulfamoylphenyl)methyl]urea
SMILESNS(=O)(=O)c1ccc(CNC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H13ClF3N3O3S/c16-13-6-3-10(7-12(13)15(17,18)19)22-14(23)21-8-9-1-4-11(5-2-9)26(20,24)25/h1-7H,8H2,(H2,20,24,25)(H2,21,22,23)
InChIKeyRUMPXLOFNBLILD-UHFFFAOYSA-N
MW407.80 g/mol
LogP3.33
Rot. Bonds4

About 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(4-sulfamoylphenyl)methyl]urea

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(4-sulfamoylphenyl)methyl]urea (PubChem CID 127573780) 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-[(4-sulfamoylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(4-sulfamoylphenyl)methyl]urea
PubChem CID127573780
Molecular FormulaC15H13ClF3N3O3S
Molecular Weight407.80 g/mol
Exact Mass407.03
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(4-sulfamoylphenyl)methyl]urea
SMILESNS(=O)(=O)c1ccc(CNC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H13ClF3N3O3S/c16-13-6-3-10(7-12(13)15(17,18)19)22-14(23)21-8-9-1-4-11(5-2-9)26(20,24)25/h1-7H,8H2,(H2,20,24,25)(H2,21,22,23)
InChIKeyRUMPXLOFNBLILD-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Benzenesulfonamide, 4-[[[(phenylamino)carbonyl]amino]methyl]-
CID 10614528
1-(4-Chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 1130083
1-(3,4-Dichlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 2242987
1-[4-Chloranyl-3-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 60446869
1-[Amino-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea
CID 9818654
N-(4-chloro-2-methylphenyl)-N'-{1-[(4-fluorophenyl)sulfonyl]-4-piperidinyl}urea
CID 3723578
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-(7-sulfamoylnaphthalen-1-yl)urea
CID 70687841
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
LY 181984
CID 160725
1-(4-Chlorophenyl)-3-[methylamino-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea
CID 10640711

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(4-sulfamoylphenyl)methyl]urea?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(4-sulfamoylphenyl)methyl]urea (CID 127573780) is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(4-sulfamoylphenyl)methyl]urea.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(4-sulfamoylphenyl)methyl]urea?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(4-sulfamoylphenyl)methyl]urea is NS(=O)(=O)c1ccc(CNC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(4-sulfamoylphenyl)methyl]urea?
The InChIKey is RUMPXLOFNBLILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N3O3S/c16-13-6-3-10(7-12(13)15(17,18)19)22-14(23)21-8-9-1-4-11(5-2-9)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-[(4-sulfamoylphenyl)methyl]urea?
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(4-sulfamoylphenyl)methyl]urea has a molecular weight of 407.80 g/mol, XLogP of 3.33, 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-[(4-sulfamoylphenyl)methyl]urea is sourced from PubChem (CID 127573780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).