2-chloro-N-(1-hydroxybutan-2-yl)-5-(trifluoromethyl)benzenesulfonamide

C11H13ClF3NO3S — CID 43501615

IUPAC2-chloro-N-(1-hydroxybutan-2-yl)-5-(trifluoromethyl)benzenesulfonamide
SMILESCCC(CO)NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C11H13ClF3NO3S/c1-2-8(6-17)16-20(18,19)10-5-7(11(13,14)15)3-4-9(10)12/h3-5,8,16-17H,2,6H2,1H3
InChIKeyPKJOTGAPBAOVAC-UHFFFAOYSA-N
MW331.74 g/mol
LogP2.41
Rot. Bonds5

About 2-chloro-N-(1-hydroxybutan-2-yl)-5-(trifluoromethyl)benzenesulfonamide

2-chloro-N-(1-hydroxybutan-2-yl)-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 43501615) has the molecular formula C11H13ClF3NO3S and a molecular weight of 331.74 g/mol. Its IUPAC name is 2-chloro-N-(1-hydroxybutan-2-yl)-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(1-hydroxybutan-2-yl)-5-(trifluoromethyl)benzenesulfonamide
PubChem CID43501615
Molecular FormulaC11H13ClF3NO3S
Molecular Weight331.74 g/mol
Exact Mass331.03
IUPAC Name2-chloro-N-(1-hydroxybutan-2-yl)-5-(trifluoromethyl)benzenesulfonamide
SMILESCCC(CO)NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C11H13ClF3NO3S/c1-2-8(6-17)16-20(18,19)10-5-7(11(13,14)15)3-4-9(10)12/h3-5,8,16-17H,2,6H2,1H3
InChIKeyPKJOTGAPBAOVAC-UHFFFAOYSA-N
XLogP2.41
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.74
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-hydroxybutan-2-yl)-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(1-hydroxybutan-2-yl)-5-(trifluoromethyl)benzenesulfonamide (CID 43501615) is 2-chloro-N-(1-hydroxybutan-2-yl)-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(1-hydroxybutan-2-yl)-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(1-hydroxybutan-2-yl)-5-(trifluoromethyl)benzenesulfonamide is CCC(CO)NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-N-(1-hydroxybutan-2-yl)-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is PKJOTGAPBAOVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3NO3S/c1-2-8(6-17)16-20(18,19)10-5-7(11(13,14)15)3-4-9(10)12/h3-5,8,16-17H,2,6H2,1H3.
What are the key properties of 2-chloro-N-(1-hydroxybutan-2-yl)-5-(trifluoromethyl)benzenesulfonamide?
2-chloro-N-(1-hydroxybutan-2-yl)-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 331.74 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-hydroxybutan-2-yl)-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 43501615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).