1-(3-fluoro-2-methylphenyl)-3-(4-sulfamoylphenyl)urea

C14H14FN3O3S — CID 46860176

IUPAC1-(3-fluoro-2-methylphenyl)-3-(4-sulfamoylphenyl)urea
SMILESCc1c(F)cccc1NC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H14FN3O3S/c1-9-12(15)3-2-4-13(9)18-14(19)17-10-5-7-11(8-6-10)22(16,20)21/h2-8H,1H3,(H2,16,20,21)(H2,17,18,19)
InChIKeyBGLDRLVWIBSQSF-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.43
Rot. Bonds3

About 1-(3-fluoro-2-methylphenyl)-3-(4-sulfamoylphenyl)urea

1-(3-fluoro-2-methylphenyl)-3-(4-sulfamoylphenyl)urea (PubChem CID 46860176) has the molecular formula C14H14FN3O3S and a molecular weight of 323.35 g/mol. Its IUPAC name is 1-(3-fluoro-2-methylphenyl)-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-(3-fluoro-2-methylphenyl)-3-(4-sulfamoylphenyl)urea
PubChem CID46860176
Molecular FormulaC14H14FN3O3S
Molecular Weight323.35 g/mol
Exact Mass323.07
IUPAC Name1-(3-fluoro-2-methylphenyl)-3-(4-sulfamoylphenyl)urea
SMILESCc1c(F)cccc1NC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H14FN3O3S/c1-9-12(15)3-2-4-13(9)18-14(19)17-10-5-7-11(8-6-10)22(16,20)21/h2-8H,1H3,(H2,16,20,21)(H2,17,18,19)
InChIKeyBGLDRLVWIBSQSF-UHFFFAOYSA-N
XLogP2.43
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-difluorophenyl)-3-(3-fluoro-2-methylphenyl)urea
CID 46860135
1-(4-cyanophenyl)-3-(3-fluoro-2-methylphenyl)urea
CID 46860121
1-(4-ethoxyphenyl)-3-(3-fluoro-2-methylphenyl)urea
CID 46860109
1-(3-fluoro-2-methylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 46860155
1-(2-iodophenyl)-3-(4-sulfamoylphenyl)urea
CID 68630610
1-(4-chloro-3-methylphenyl)-3-(3-fluoro-2-methylphenyl)urea
CID 46860179
1-(2,6-dimethylphenyl)-3-(3-fluoro-2-methylphenyl)urea
CID 46860101
2,3-difluoro-N-(4-sulfamoylphenyl)benzamide
CID 62649490
1-(2-fluoro-4-nitrophenyl)-3-(4-sulfamoylphenyl)urea
CID 141330135
1-(2,6-dimethoxyphenyl)-3-(4-sulfamoylphenyl)urea
CID 108867832
1-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 2813478
1-(3-fluoro-2-methylphenyl)-3-(2,4,6-trimethylphenyl)urea
CID 46860092

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-methylphenyl)-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-(3-fluoro-2-methylphenyl)-3-(4-sulfamoylphenyl)urea (CID 46860176) is 1-(3-fluoro-2-methylphenyl)-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-(3-fluoro-2-methylphenyl)-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-(3-fluoro-2-methylphenyl)-3-(4-sulfamoylphenyl)urea is Cc1c(F)cccc1NC(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 1-(3-fluoro-2-methylphenyl)-3-(4-sulfamoylphenyl)urea?
The InChIKey is BGLDRLVWIBSQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3S/c1-9-12(15)3-2-4-13(9)18-14(19)17-10-5-7-11(8-6-10)22(16,20)21/h2-8H,1H3,(H2,16,20,21)(H2,17,18,19).
What are the key properties of 1-(3-fluoro-2-methylphenyl)-3-(4-sulfamoylphenyl)urea?
1-(3-fluoro-2-methylphenyl)-3-(4-sulfamoylphenyl)urea has a molecular weight of 323.35 g/mol, XLogP of 2.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-methylphenyl)-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 46860176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).