1-[(2,4-difluorophenyl)methyl]-1-methyl-3-[1-(3-sulfamoylphenyl)ethyl]urea

C17H19F2N3O3S — CID 55541921

IUPAC1-[(2,4-difluorophenyl)methyl]-1-methyl-3-[1-(3-sulfamoylphenyl)ethyl]urea
SMILESCC(NC(=O)N(C)Cc1ccc(F)cc1F)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C17H19F2N3O3S/c1-11(12-4-3-5-15(8-12)26(20,24)25)21-17(23)22(2)10-13-6-7-14(18)9-16(13)19/h3-9,11H,10H2,1-2H3,(H,21,23)(H2,20,24,25)
InChIKeyZHVJJFGSKZQPIN-UHFFFAOYSA-N
MW383.42 g/mol
LogP2.51
Rot. Bonds5

About 1-[(2,4-difluorophenyl)methyl]-1-methyl-3-[1-(3-sulfamoylphenyl)ethyl]urea

1-[(2,4-difluorophenyl)methyl]-1-methyl-3-[1-(3-sulfamoylphenyl)ethyl]urea (PubChem CID 55541921) has the molecular formula C17H19F2N3O3S and a molecular weight of 383.42 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-1-methyl-3-[1-(3-sulfamoylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-1-methyl-3-[1-(3-sulfamoylphenyl)ethyl]urea
PubChem CID55541921
Molecular FormulaC17H19F2N3O3S
Molecular Weight383.42 g/mol
Exact Mass383.11
IUPAC Name1-[(2,4-difluorophenyl)methyl]-1-methyl-3-[1-(3-sulfamoylphenyl)ethyl]urea
SMILESCC(NC(=O)N(C)Cc1ccc(F)cc1F)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C17H19F2N3O3S/c1-11(12-4-3-5-15(8-12)26(20,24)25)21-17(23)22(2)10-13-6-7-14(18)9-16(13)19/h3-9,11H,10H2,1-2H3,(H,21,23)(H2,20,24,25)
InChIKeyZHVJJFGSKZQPIN-UHFFFAOYSA-N
XLogP2.51
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)methyl]-1-methyl-3-[1-(3-sulfamoylphenyl)ethyl]urea
CID 75833918
3-[1-(1,3-benzodioxol-5-yl)ethyl]-1-[(2,4-difluorophenyl)methyl]-1-methylurea
CID 134001853
1,1-diethyl-3-[1-(3-sulfamoylphenyl)ethyl]urea
CID 112729478
1-[(2,4-difluorophenyl)methyl]-3-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-methylurea
CID 55590356
N,N-dimethyl-2-[1-(3-sulfamoylphenyl)ethylamino]acetamide
CID 43226387
2,4-dichloro-5-fluoro-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 51213570
3-[1-(3-fluoroanilino)ethyl]benzenesulfonamide
CID 43762132
3-[1-[(4-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 51249256
1-methyl-1-(1-pyridin-2-ylethyl)-3-[1-(3-sulfamoylphenyl)ethyl]urea
CID 86861276
3-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pentanamide
CID 114876353
3-[1-(2,6-difluoroanilino)ethyl]benzenesulfonamide
CID 43773070
3-[(2,4-difluorophenyl)methyl-methylamino]butanoic acid
CID 117042209

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-1-methyl-3-[1-(3-sulfamoylphenyl)ethyl]urea?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-1-methyl-3-[1-(3-sulfamoylphenyl)ethyl]urea (CID 55541921) is 1-[(2,4-difluorophenyl)methyl]-1-methyl-3-[1-(3-sulfamoylphenyl)ethyl]urea.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-1-methyl-3-[1-(3-sulfamoylphenyl)ethyl]urea?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-1-methyl-3-[1-(3-sulfamoylphenyl)ethyl]urea is CC(NC(=O)N(C)Cc1ccc(F)cc1F)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-1-methyl-3-[1-(3-sulfamoylphenyl)ethyl]urea?
The InChIKey is ZHVJJFGSKZQPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O3S/c1-11(12-4-3-5-15(8-12)26(20,24)25)21-17(23)22(2)10-13-6-7-14(18)9-16(13)19/h3-9,11H,10H2,1-2H3,(H,21,23)(H2,20,24,25).
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-1-methyl-3-[1-(3-sulfamoylphenyl)ethyl]urea?
1-[(2,4-difluorophenyl)methyl]-1-methyl-3-[1-(3-sulfamoylphenyl)ethyl]urea has a molecular weight of 383.42 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-1-methyl-3-[1-(3-sulfamoylphenyl)ethyl]urea is sourced from PubChem (CID 55541921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).