1-[3-[(3,5-difluorophenyl)sulfonylamino]phenyl]-3-methylurea

C14H13F2N3O3S — CID 36511499

IUPAC1-[3-[(3,5-difluorophenyl)sulfonylamino]phenyl]-3-methylurea
SMILESCNC(=O)Nc1cccc(NS(=O)(=O)c2cc(F)cc(F)c2)c1
InChIInChI=1S/C14H13F2N3O3S/c1-17-14(20)18-11-3-2-4-12(8-11)19-23(21,22)13-6-9(15)5-10(16)7-13/h2-8,19H,1H3,(H2,17,18,20)
InChIKeyURTRSPRKUVHXPE-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.52
Rot. Bonds4

About 1-[3-[(3,5-difluorophenyl)sulfonylamino]phenyl]-3-methylurea

1-[3-[(3,5-difluorophenyl)sulfonylamino]phenyl]-3-methylurea (PubChem CID 36511499) has the molecular formula C14H13F2N3O3S and a molecular weight of 341.34 g/mol. Its IUPAC name is 1-[3-[(3,5-difluorophenyl)sulfonylamino]phenyl]-3-methylurea.

Molecular Properties

Compound Name1-[3-[(3,5-difluorophenyl)sulfonylamino]phenyl]-3-methylurea
PubChem CID36511499
Molecular FormulaC14H13F2N3O3S
Molecular Weight341.34 g/mol
Exact Mass341.06
IUPAC Name1-[3-[(3,5-difluorophenyl)sulfonylamino]phenyl]-3-methylurea
SMILESCNC(=O)Nc1cccc(NS(=O)(=O)c2cc(F)cc(F)c2)c1
InChIInChI=1S/C14H13F2N3O3S/c1-17-14(20)18-11-3-2-4-12(8-11)19-23(21,22)13-6-9(15)5-10(16)7-13/h2-8,19H,1H3,(H2,17,18,20)
InChIKeyURTRSPRKUVHXPE-UHFFFAOYSA-N
XLogP2.52
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-3-methylurea
CID 36511529
1-[3-[(2-bromophenyl)sulfonylamino]phenyl]-3-methylurea
CID 36512082
1-[3-[(3,4-diethoxyphenyl)sulfonylamino]phenyl]-3-methylurea
CID 36512808
N-(3-bromophenyl)-3,5-difluorobenzenesulfonamide
CID 26951692
N-[3-[(3-fluorophenyl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 55538744
3,5-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide
CID 43604154
1-[3-(benzenesulfonamido)phenyl]-3-(4-methylphenyl)sulfonylurea
CID 146591354
N-[3-[(3,5-dichlorophenyl)sulfonylamino]phenyl]acetamide
CID 4816692
N-(4-acetylphenyl)-3,5-difluorobenzenesulfonamide
CID 51170160
1-(3-fluoro-5-sulfamoylphenyl)-3-methylurea
CID 78993821
1-[3-[(4-bromophenyl)sulfonylamino]phenyl]-3-phenylurea
CID 24622040
N-[3-[(4-iodophenyl)sulfonylamino]phenyl]acetamide
CID 3874122

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3,5-difluorophenyl)sulfonylamino]phenyl]-3-methylurea?
The IUPAC name of 1-[3-[(3,5-difluorophenyl)sulfonylamino]phenyl]-3-methylurea (CID 36511499) is 1-[3-[(3,5-difluorophenyl)sulfonylamino]phenyl]-3-methylurea.
What is the SMILES notation for 1-[3-[(3,5-difluorophenyl)sulfonylamino]phenyl]-3-methylurea?
The canonical SMILES for 1-[3-[(3,5-difluorophenyl)sulfonylamino]phenyl]-3-methylurea is CNC(=O)Nc1cccc(NS(=O)(=O)c2cc(F)cc(F)c2)c1.
What is the InChIKey of 1-[3-[(3,5-difluorophenyl)sulfonylamino]phenyl]-3-methylurea?
The InChIKey is URTRSPRKUVHXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O3S/c1-17-14(20)18-11-3-2-4-12(8-11)19-23(21,22)13-6-9(15)5-10(16)7-13/h2-8,19H,1H3,(H2,17,18,20).
What are the key properties of 1-[3-[(3,5-difluorophenyl)sulfonylamino]phenyl]-3-methylurea?
1-[3-[(3,5-difluorophenyl)sulfonylamino]phenyl]-3-methylurea has a molecular weight of 341.34 g/mol, XLogP of 2.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3,5-difluorophenyl)sulfonylamino]phenyl]-3-methylurea is sourced from PubChem (CID 36511499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).