N-[4-(4-methoxy-3-pyridinyl)-3-(trifluoromethoxy)phenyl]sulfamoyl chloride

C13H10ClF3N2O4S — CID 88584101

IUPACN-[4-(4-methoxy-3-pyridinyl)-3-(trifluoromethoxy)phenyl]sulfamoyl chloride
SMILESCOc1ccncc1-c1ccc(NS(=O)(=O)Cl)cc1OC(F)(F)F
InChIInChI=1S/C13H10ClF3N2O4S/c1-22-11-4-5-18-7-10(11)9-3-2-8(19-24(14,20)21)6-12(9)23-13(15,16)17/h2-7,19H,1H3
InChIKeyUCMKHIUMOHUNTE-UHFFFAOYSA-N
MW382.75 g/mol
LogP3.55
Rot. Bonds5

About N-[4-(4-methoxy-3-pyridinyl)-3-(trifluoromethoxy)phenyl]sulfamoyl chloride

N-[4-(4-methoxy-3-pyridinyl)-3-(trifluoromethoxy)phenyl]sulfamoyl chloride (PubChem CID 88584101) has the molecular formula C13H10ClF3N2O4S and a molecular weight of 382.75 g/mol. Its IUPAC name is N-[4-(4-methoxy-3-pyridinyl)-3-(trifluoromethoxy)phenyl]sulfamoyl chloride.

Molecular Properties

Compound NameN-[4-(4-methoxy-3-pyridinyl)-3-(trifluoromethoxy)phenyl]sulfamoyl chloride
PubChem CID88584101
Molecular FormulaC13H10ClF3N2O4S
Molecular Weight382.75 g/mol
Exact Mass382.00
IUPAC NameN-[4-(4-methoxy-3-pyridinyl)-3-(trifluoromethoxy)phenyl]sulfamoyl chloride
SMILESCOc1ccncc1-c1ccc(NS(=O)(=O)Cl)cc1OC(F)(F)F
InChIInChI=1S/C13H10ClF3N2O4S/c1-22-11-4-5-18-7-10(11)9-3-2-8(19-24(14,20)21)6-12(9)23-13(15,16)17/h2-7,19H,1H3
InChIKeyUCMKHIUMOHUNTE-UHFFFAOYSA-N
XLogP3.55
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.75
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxy-3-pyridinyl)-3-(trifluoromethoxy)phenyl]sulfamoyl chloride?
The IUPAC name of N-[4-(4-methoxy-3-pyridinyl)-3-(trifluoromethoxy)phenyl]sulfamoyl chloride (CID 88584101) is N-[4-(4-methoxy-3-pyridinyl)-3-(trifluoromethoxy)phenyl]sulfamoyl chloride.
What is the SMILES notation for N-[4-(4-methoxy-3-pyridinyl)-3-(trifluoromethoxy)phenyl]sulfamoyl chloride?
The canonical SMILES for N-[4-(4-methoxy-3-pyridinyl)-3-(trifluoromethoxy)phenyl]sulfamoyl chloride is COc1ccncc1-c1ccc(NS(=O)(=O)Cl)cc1OC(F)(F)F.
What is the InChIKey of N-[4-(4-methoxy-3-pyridinyl)-3-(trifluoromethoxy)phenyl]sulfamoyl chloride?
The InChIKey is UCMKHIUMOHUNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2O4S/c1-22-11-4-5-18-7-10(11)9-3-2-8(19-24(14,20)21)6-12(9)23-13(15,16)17/h2-7,19H,1H3.
What are the key properties of N-[4-(4-methoxy-3-pyridinyl)-3-(trifluoromethoxy)phenyl]sulfamoyl chloride?
N-[4-(4-methoxy-3-pyridinyl)-3-(trifluoromethoxy)phenyl]sulfamoyl chloride has a molecular weight of 382.75 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxy-3-pyridinyl)-3-(trifluoromethoxy)phenyl]sulfamoyl chloride is sourced from PubChem (CID 88584101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).