1-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea

C21H17ClF3N3O3S — CID 34064102

IUPAC1-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H17ClF3N3O3S/c1-13-5-10-18(32(30,31)28-16-8-6-15(22)7-9-16)12-19(13)27-20(29)26-17-4-2-3-14(11-17)21(23,24)25/h2-12,28H,1H3,(H2,26,27,29)
InChIKeyCGDCSIVLPULAHT-UHFFFAOYSA-N
MW483.90 g/mol
LogP6.11
Rot. Bonds5

About 1-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea

1-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 34064102) has the molecular formula C21H17ClF3N3O3S and a molecular weight of 483.90 g/mol. Its IUPAC name is 1-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID34064102
Molecular FormulaC21H17ClF3N3O3S
Molecular Weight483.90 g/mol
Exact Mass483.06
IUPAC Name1-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H17ClF3N3O3S/c1-13-5-10-18(32(30,31)28-16-8-6-15(22)7-9-16)12-19(13)27-20(29)26-17-4-2-3-14(11-17)21(23,24)25/h2-12,28H,1H3,(H2,26,27,29)
InChIKeyCGDCSIVLPULAHT-UHFFFAOYSA-N
XLogP6.11
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.90
LogP ≤ 56.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 4101764
1-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 90101637
1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(3-methylphenyl)urea
CID 4830051
1-[3-[(4-chlorophenyl)methylsulfonyl]-4-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 158215251
1-[3-(tert-butylamino)-4-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 146622176
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide
CID 126414588
1-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(4-chlorophenyl)urea
CID 2983994
N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 1069109
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 4173499
3-(cyclopropylsulfonylamino)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 166186395
2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 2768785
1-(3-chloro-4-methylphenyl)-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 17262540

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea (CID 34064102) is 1-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea is Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is CGDCSIVLPULAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF3N3O3S/c1-13-5-10-18(32(30,31)28-16-8-6-15(22)7-9-16)12-19(13)27-20(29)26-17-4-2-3-14(11-17)21(23,24)25/h2-12,28H,1H3,(H2,26,27,29).
What are the key properties of 1-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea?
1-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 483.90 g/mol, XLogP of 6.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 34064102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).