2-chloro-N-(2,3-dihydro-1H-inden-2-yl)-5-(trifluoromethyl)benzenesulfonamide

C16H13ClF3NO2S — CID 2823466

IUPAC2-chloro-N-(2,3-dihydro-1H-inden-2-yl)-5-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC1Cc2ccccc2C1)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C16H13ClF3NO2S/c17-14-6-5-12(16(18,19)20)9-15(14)24(22,23)21-13-7-10-3-1-2-4-11(10)8-13/h1-6,9,13,21H,7-8H2
InChIKeyOWGWXSQQPJCVES-UHFFFAOYSA-N
MW375.80 g/mol
LogP3.80
Rot. Bonds3

About 2-chloro-N-(2,3-dihydro-1H-inden-2-yl)-5-(trifluoromethyl)benzenesulfonamide

2-chloro-N-(2,3-dihydro-1H-inden-2-yl)-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 2823466) has the molecular formula C16H13ClF3NO2S and a molecular weight of 375.80 g/mol. Its IUPAC name is 2-chloro-N-(2,3-dihydro-1H-inden-2-yl)-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2,3-dihydro-1H-inden-2-yl)-5-(trifluoromethyl)benzenesulfonamide
PubChem CID2823466
Molecular FormulaC16H13ClF3NO2S
Molecular Weight375.80 g/mol
Exact Mass375.03
IUPAC Name2-chloro-N-(2,3-dihydro-1H-inden-2-yl)-5-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC1Cc2ccccc2C1)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C16H13ClF3NO2S/c17-14-6-5-12(16(18,19)20)9-15(14)24(22,23)21-13-7-10-3-1-2-4-11(10)8-13/h1-6,9,13,21H,7-8H2
InChIKeyOWGWXSQQPJCVES-UHFFFAOYSA-N
XLogP3.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.80
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,3-dihydro-1H-inden-2-yl)-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(2,3-dihydro-1H-inden-2-yl)-5-(trifluoromethyl)benzenesulfonamide (CID 2823466) is 2-chloro-N-(2,3-dihydro-1H-inden-2-yl)-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(2,3-dihydro-1H-inden-2-yl)-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(2,3-dihydro-1H-inden-2-yl)-5-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NC1Cc2ccccc2C1)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-N-(2,3-dihydro-1H-inden-2-yl)-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is OWGWXSQQPJCVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3NO2S/c17-14-6-5-12(16(18,19)20)9-15(14)24(22,23)21-13-7-10-3-1-2-4-11(10)8-13/h1-6,9,13,21H,7-8H2.
What are the key properties of 2-chloro-N-(2,3-dihydro-1H-inden-2-yl)-5-(trifluoromethyl)benzenesulfonamide?
2-chloro-N-(2,3-dihydro-1H-inden-2-yl)-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 375.80 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,3-dihydro-1H-inden-2-yl)-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 2823466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).