N'-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]ethane-1,2-diamine

C9H11ClF3N3O2S — CID 84760946

IUPACN'-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]ethane-1,2-diamine
SMILESNCCNS(=O)(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C9H11ClF3N3O2S/c10-7-2-1-6(9(11,12)13)5-8(7)16-19(17,18)15-4-3-14/h1-2,5,15-16H,3-4,14H2
InChIKeyYLDGVZFYGBIPPT-UHFFFAOYSA-N
MW317.72 g/mol
LogP1.56
Rot. Bonds5

About N'-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]ethane-1,2-diamine

N'-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]ethane-1,2-diamine (PubChem CID 84760946) has the molecular formula C9H11ClF3N3O2S and a molecular weight of 317.72 g/mol. Its IUPAC name is N'-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]ethane-1,2-diamine
PubChem CID84760946
Molecular FormulaC9H11ClF3N3O2S
Molecular Weight317.72 g/mol
Exact Mass317.02
IUPAC NameN'-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]ethane-1,2-diamine
SMILESNCCNS(=O)(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C9H11ClF3N3O2S/c10-7-2-1-6(9(11,12)13)5-8(7)16-19(17,18)15-4-3-14/h1-2,5,15-16H,3-4,14H2
InChIKeyYLDGVZFYGBIPPT-UHFFFAOYSA-N
XLogP1.56
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.72
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]ethane-1,2-diamine?
The IUPAC name of N'-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]ethane-1,2-diamine (CID 84760946) is N'-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]ethane-1,2-diamine?
The canonical SMILES for N'-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]ethane-1,2-diamine is NCCNS(=O)(=O)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N'-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]ethane-1,2-diamine?
The InChIKey is YLDGVZFYGBIPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3N3O2S/c10-7-2-1-6(9(11,12)13)5-8(7)16-19(17,18)15-4-3-14/h1-2,5,15-16H,3-4,14H2.
What are the key properties of N'-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]ethane-1,2-diamine?
N'-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]ethane-1,2-diamine has a molecular weight of 317.72 g/mol, XLogP of 1.56, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]ethane-1,2-diamine is sourced from PubChem (CID 84760946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).