2-chloro-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene

C13H10ClF3N2O2S — CID 11428074

IUPAC2-chloro-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene
SMILESNS(=O)(=O)Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1Cl
InChIInChI=1S/C13H10ClF3N2O2S/c14-11-7-9(3-6-12(11)19-22(18,20)21)8-1-4-10(5-2-8)13(15,16)17/h1-7,19H,(H2,18,20,21)
InChIKeyDPQVQYANLPNWMQ-UHFFFAOYSA-N
MW350.75 g/mol
LogP3.64
Rot. Bonds3

About 2-chloro-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene

2-chloro-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene (PubChem CID 11428074) has the molecular formula C13H10ClF3N2O2S and a molecular weight of 350.75 g/mol. Its IUPAC name is 2-chloro-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name2-chloro-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene
PubChem CID11428074
Molecular FormulaC13H10ClF3N2O2S
Molecular Weight350.75 g/mol
Exact Mass350.01
IUPAC Name2-chloro-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene
SMILESNS(=O)(=O)Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1Cl
InChIInChI=1S/C13H10ClF3N2O2S/c14-11-7-9(3-6-12(11)19-22(18,20)21)8-1-4-10(5-2-8)13(15,16)17/h1-7,19H,(H2,18,20,21)
InChIKeyDPQVQYANLPNWMQ-UHFFFAOYSA-N
XLogP3.64
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.75
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 2-chloro-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene (CID 11428074) is 2-chloro-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 2-chloro-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 2-chloro-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene is NS(=O)(=O)Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1Cl.
What is the InChIKey of 2-chloro-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene?
The InChIKey is DPQVQYANLPNWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2O2S/c14-11-7-9(3-6-12(11)19-22(18,20)21)8-1-4-10(5-2-8)13(15,16)17/h1-7,19H,(H2,18,20,21).
What are the key properties of 2-chloro-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene?
2-chloro-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene has a molecular weight of 350.75 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 11428074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).