[4-[(2,4-difluorophenyl)carbamoylamino]phenyl] sulfamate

C13H11F2N3O4S — CID 70694601

IUPAC[4-[(2,4-difluorophenyl)carbamoylamino]phenyl] sulfamate
SMILESNS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C13H11F2N3O4S/c14-8-1-6-12(11(15)7-8)18-13(19)17-9-2-4-10(5-3-9)22-23(16,20)21/h1-7H,(H2,16,20,21)(H2,17,18,19)
InChIKeyXHTGRFBIHWSAHX-UHFFFAOYSA-N
MW343.31 g/mol
LogP2.19
Rot. Bonds4

About [4-[(2,4-difluorophenyl)carbamoylamino]phenyl] sulfamate

[4-[(2,4-difluorophenyl)carbamoylamino]phenyl] sulfamate (PubChem CID 70694601) has the molecular formula C13H11F2N3O4S and a molecular weight of 343.31 g/mol. Its IUPAC name is [4-[(2,4-difluorophenyl)carbamoylamino]phenyl] sulfamate.

Molecular Properties

Compound Name[4-[(2,4-difluorophenyl)carbamoylamino]phenyl] sulfamate
PubChem CID70694601
Molecular FormulaC13H11F2N3O4S
Molecular Weight343.31 g/mol
Exact Mass343.04
IUPAC Name[4-[(2,4-difluorophenyl)carbamoylamino]phenyl] sulfamate
SMILESNS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C13H11F2N3O4S/c14-8-1-6-12(11(15)7-8)18-13(19)17-9-2-4-10(5-3-9)22-23(16,20)21/h1-7H,(H2,16,20,21)(H2,17,18,19)
InChIKeyXHTGRFBIHWSAHX-UHFFFAOYSA-N
XLogP2.19
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-difluorophenyl)-3-(3,5-difluorophenyl)urea
CID 46859669
1-(2-amino-4-fluorophenyl)-3-(4-fluorophenyl)urea
CID 16777898
butyl 4-[(2,4-difluorophenyl)carbamoylamino]benzoate
CID 46859665
1-(3-amino-5-fluorophenyl)-3-(2,4-difluorophenyl)urea
CID 107334345
1-[4-(diethylamino)phenyl]-3-(2,4-difluorophenyl)urea
CID 970808
1-(2,4-difluorophenyl)-3-(4-methoxy-2-methylphenyl)urea
CID 972200
1-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 46859657
1-(2,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)urea
CID 17263659
1-(2,4-difluorophenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892630
1-(4-bromo-2,5-difluorophenyl)-3-(4-fluorophenyl)urea
CID 107612564
1-(3-chlorophenyl)-3-(2,4-difluorophenyl)urea
CID 898171
1-(2,4-difluorophenyl)-3-(3-iodophenyl)urea
CID 47103689

Frequently Asked Questions

What is the IUPAC name of [4-[(2,4-difluorophenyl)carbamoylamino]phenyl] sulfamate?
The IUPAC name of [4-[(2,4-difluorophenyl)carbamoylamino]phenyl] sulfamate (CID 70694601) is [4-[(2,4-difluorophenyl)carbamoylamino]phenyl] sulfamate.
What is the SMILES notation for [4-[(2,4-difluorophenyl)carbamoylamino]phenyl] sulfamate?
The canonical SMILES for [4-[(2,4-difluorophenyl)carbamoylamino]phenyl] sulfamate is NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1.
What is the InChIKey of [4-[(2,4-difluorophenyl)carbamoylamino]phenyl] sulfamate?
The InChIKey is XHTGRFBIHWSAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O4S/c14-8-1-6-12(11(15)7-8)18-13(19)17-9-2-4-10(5-3-9)22-23(16,20)21/h1-7H,(H2,16,20,21)(H2,17,18,19).
What are the key properties of [4-[(2,4-difluorophenyl)carbamoylamino]phenyl] sulfamate?
[4-[(2,4-difluorophenyl)carbamoylamino]phenyl] sulfamate has a molecular weight of 343.31 g/mol, XLogP of 2.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,4-difluorophenyl)carbamoylamino]phenyl] sulfamate is sourced from PubChem (CID 70694601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).