2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide

C16H16ClF3N2O2S — CID 60530970

IUPAC2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)N(Cc1cccnc1)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C16H16ClF3N2O2S/c1-11(2)22(10-12-4-3-7-21-9-12)25(23,24)15-8-13(16(18,19)20)5-6-14(15)17/h3-9,11H,10H2,1-2H3
InChIKeyDINWWGIPRAWENM-UHFFFAOYSA-N
MW392.83 g/mol
LogP4.35
Rot. Bonds5

About 2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide

2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 60530970) has the molecular formula C16H16ClF3N2O2S and a molecular weight of 392.83 g/mol. Its IUPAC name is 2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide
PubChem CID60530970
Molecular FormulaC16H16ClF3N2O2S
Molecular Weight392.83 g/mol
Exact Mass392.06
IUPAC Name2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)N(Cc1cccnc1)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C16H16ClF3N2O2S/c1-11(2)22(10-12-4-3-7-21-9-12)25(23,24)15-8-13(16(18,19)20)5-6-14(15)17/h3-9,11H,10H2,1-2H3
InChIKeyDINWWGIPRAWENM-UHFFFAOYSA-N
XLogP4.35
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.83
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide
CID 61047395
N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 52634275
N-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 54877056
2-[(2-fluorophenyl)sulfonyl-(pyridin-3-ylmethyl)amino]propanoic acid
CID 167877301
2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-5-(trifluoromethyl)benzenesulfonamide
CID 115902653
2-chloro-N-(3-hydroxypropyl)-5-methylsulfonyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 71913435
N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)oxamide
CID 86919834
2-chloro-N-methyl-N-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)benzenesulfonamide
CID 3588052
2-chloro-N-[2-(diethylamino)ethyl]-N-ethyl-5-(trifluoromethyl)benzenesulfonamide
CID 3528675
N-(azetidin-3-yl)-2-chloro-N-ethyl-5-(trifluoromethyl)benzenesulfonamide
CID 66184263
4-chloro-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 47103942
5-amino-2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 61114903

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide (CID 60530970) is 2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide is CC(C)N(Cc1cccnc1)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is DINWWGIPRAWENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF3N2O2S/c1-11(2)22(10-12-4-3-7-21-9-12)25(23,24)15-8-13(16(18,19)20)5-6-14(15)17/h3-9,11H,10H2,1-2H3.
What are the key properties of 2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide?
2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 392.83 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 60530970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).