1-[(4-fluorophenyl)sulfonylamino]-3-(3-methylphenyl)urea

C14H14FN3O3S — CID 841271

IUPAC1-[(4-fluorophenyl)sulfonylamino]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)NNS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C14H14FN3O3S/c1-10-3-2-4-12(9-10)16-14(19)17-18-22(20,21)13-7-5-11(15)6-8-13/h2-9,18H,1H3,(H2,16,17,19)
InChIKeyZUFLAHAGWSVACL-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.15
Rot. Bonds4

About 1-[(4-fluorophenyl)sulfonylamino]-3-(3-methylphenyl)urea

1-[(4-fluorophenyl)sulfonylamino]-3-(3-methylphenyl)urea (PubChem CID 841271) has the molecular formula C14H14FN3O3S and a molecular weight of 323.35 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)sulfonylamino]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)sulfonylamino]-3-(3-methylphenyl)urea
PubChem CID841271
Molecular FormulaC14H14FN3O3S
Molecular Weight323.35 g/mol
Exact Mass323.07
IUPAC Name1-[(4-fluorophenyl)sulfonylamino]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)NNS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C14H14FN3O3S/c1-10-3-2-4-12(9-10)16-14(19)17-18-22(20,21)13-7-5-11(15)6-8-13/h2-9,18H,1H3,(H2,16,17,19)
InChIKeyZUFLAHAGWSVACL-UHFFFAOYSA-N
XLogP2.15
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)sulfonylamino]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[(4-fluorophenyl)sulfonylamino]-3-(3-methylphenyl)urea (CID 841271) is 1-[(4-fluorophenyl)sulfonylamino]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[(4-fluorophenyl)sulfonylamino]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[(4-fluorophenyl)sulfonylamino]-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)NNS(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 1-[(4-fluorophenyl)sulfonylamino]-3-(3-methylphenyl)urea?
The InChIKey is ZUFLAHAGWSVACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3S/c1-10-3-2-4-12(9-10)16-14(19)17-18-22(20,21)13-7-5-11(15)6-8-13/h2-9,18H,1H3,(H2,16,17,19).
What are the key properties of 1-[(4-fluorophenyl)sulfonylamino]-3-(3-methylphenyl)urea?
1-[(4-fluorophenyl)sulfonylamino]-3-(3-methylphenyl)urea has a molecular weight of 323.35 g/mol, XLogP of 2.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)sulfonylamino]-3-(3-methylphenyl)urea is sourced from PubChem (CID 841271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).