2-chloro-N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)benzenesulfonamide

C15H13ClF3NO2S — CID 2412388

IUPAC2-chloro-N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)c1ccccc1
InChIInChI=1S/C15H13ClF3NO2S/c1-10(11-5-3-2-4-6-11)20-23(21,22)14-9-12(15(17,18)19)7-8-13(14)16/h2-10,20H,1H3/t10-/m1/s1
InChIKeyKHRFMXYTTWQCCP-SNVBAGLBSA-N
MW363.79 g/mol
LogP4.40
Rot. Bonds4

About 2-chloro-N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)benzenesulfonamide

2-chloro-N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 2412388) has the molecular formula C15H13ClF3NO2S and a molecular weight of 363.79 g/mol. Its IUPAC name is 2-chloro-N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)benzenesulfonamide
PubChem CID2412388
Molecular FormulaC15H13ClF3NO2S
Molecular Weight363.79 g/mol
Exact Mass363.03
IUPAC Name2-chloro-N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)c1ccccc1
InChIInChI=1S/C15H13ClF3NO2S/c1-10(11-5-3-2-4-6-11)20-23(21,22)14-9-12(15(17,18)19)7-8-13(14)16/h2-10,20H,1H3/t10-/m1/s1
InChIKeyKHRFMXYTTWQCCP-SNVBAGLBSA-N
XLogP4.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.79
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-2-chloro-N-(1-phenylethyl)benzenesulfonamide
CID 43094138
3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 43240869
2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 78785998
2-chloro-5-cyano-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 104918937
4-chloro-N-(1-phenylethyl)naphthalene-1-sulfonamide
CID 91670103
2-chloro-5-(2-chloroacetyl)-N-(1-phenylethyl)benzenesulfonamide
CID 86735248
2-chloro-N-(1-cyclohexylethyl)-5-(trifluoromethyl)benzenesulfonamide
CID 3311116
(2R)-2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-ethylpropanamide
CID 8802505
2,5-dichloro-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22201161
3,4-dichloro-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 7038002
ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-3-phenylpropanoate
CID 3406154
3,4-dichloro-2-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 34959830

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)benzenesulfonamide (CID 2412388) is 2-chloro-N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)benzenesulfonamide is C[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is KHRFMXYTTWQCCP-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H13ClF3NO2S/c1-10(11-5-3-2-4-6-11)20-23(21,22)14-9-12(15(17,18)19)7-8-13(14)16/h2-10,20H,1H3/t10-/m1/s1.
What are the key properties of 2-chloro-N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)benzenesulfonamide?
2-chloro-N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 363.79 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 2412388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).