1-cycloheptyl-3-[4-(trifluoromethoxy)phenyl]sulfonylurea

C15H19F3N2O4S — CID 163523295

IUPAC1-cycloheptyl-3-[4-(trifluoromethoxy)phenyl]sulfonylurea
SMILESO=C(NC1CCCCCC1)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H19F3N2O4S/c16-15(17,18)24-12-7-9-13(10-8-12)25(22,23)20-14(21)19-11-5-3-1-2-4-6-11/h7-11H,1-6H2,(H2,19,20,21)
InChIKeyDMRNUGUDGCPNAG-UHFFFAOYSA-N
MW380.39 g/mol
LogP3.30
Rot. Bonds4

About 1-cycloheptyl-3-[4-(trifluoromethoxy)phenyl]sulfonylurea

1-cycloheptyl-3-[4-(trifluoromethoxy)phenyl]sulfonylurea (PubChem CID 163523295) has the molecular formula C15H19F3N2O4S and a molecular weight of 380.39 g/mol. Its IUPAC name is 1-cycloheptyl-3-[4-(trifluoromethoxy)phenyl]sulfonylurea.

Molecular Properties

Compound Name1-cycloheptyl-3-[4-(trifluoromethoxy)phenyl]sulfonylurea
PubChem CID163523295
Molecular FormulaC15H19F3N2O4S
Molecular Weight380.39 g/mol
Exact Mass380.10
IUPAC Name1-cycloheptyl-3-[4-(trifluoromethoxy)phenyl]sulfonylurea
SMILESO=C(NC1CCCCCC1)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H19F3N2O4S/c16-15(17,18)24-12-7-9-13(10-8-12)25(22,23)20-14(21)19-11-5-3-1-2-4-6-11/h7-11H,1-6H2,(H2,19,20,21)
InChIKeyDMRNUGUDGCPNAG-UHFFFAOYSA-N
XLogP3.30
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-[4-(trifluoromethoxy)phenyl]sulfonylurea?
The IUPAC name of 1-cycloheptyl-3-[4-(trifluoromethoxy)phenyl]sulfonylurea (CID 163523295) is 1-cycloheptyl-3-[4-(trifluoromethoxy)phenyl]sulfonylurea.
What is the SMILES notation for 1-cycloheptyl-3-[4-(trifluoromethoxy)phenyl]sulfonylurea?
The canonical SMILES for 1-cycloheptyl-3-[4-(trifluoromethoxy)phenyl]sulfonylurea is O=C(NC1CCCCCC1)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-cycloheptyl-3-[4-(trifluoromethoxy)phenyl]sulfonylurea?
The InChIKey is DMRNUGUDGCPNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O4S/c16-15(17,18)24-12-7-9-13(10-8-12)25(22,23)20-14(21)19-11-5-3-1-2-4-6-11/h7-11H,1-6H2,(H2,19,20,21).
What are the key properties of 1-cycloheptyl-3-[4-(trifluoromethoxy)phenyl]sulfonylurea?
1-cycloheptyl-3-[4-(trifluoromethoxy)phenyl]sulfonylurea has a molecular weight of 380.39 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-[4-(trifluoromethoxy)phenyl]sulfonylurea is sourced from PubChem (CID 163523295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).