N-[4-chloro-3-(trifluoromethyl)phenyl]-2-propan-2-ylsulfonylbenzamide

C17H15ClF3NO3S — CID 39899496

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-propan-2-ylsulfonylbenzamide
SMILESCC(C)S(=O)(=O)c1ccccc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H15ClF3NO3S/c1-10(2)26(24,25)15-6-4-3-5-12(15)16(23)22-11-7-8-14(18)13(9-11)17(19,20)21/h3-10H,1-2H3,(H,22,23)
InChIKeyMECNESISYSYGBW-UHFFFAOYSA-N
MW405.83 g/mol
LogP4.79
Rot. Bonds4

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2-propan-2-ylsulfonylbenzamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-propan-2-ylsulfonylbenzamide (PubChem CID 39899496) has the molecular formula C17H15ClF3NO3S and a molecular weight of 405.83 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-propan-2-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-propan-2-ylsulfonylbenzamide
PubChem CID39899496
Molecular FormulaC17H15ClF3NO3S
Molecular Weight405.83 g/mol
Exact Mass405.04
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-propan-2-ylsulfonylbenzamide
SMILESCC(C)S(=O)(=O)c1ccccc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H15ClF3NO3S/c1-10(2)26(24,25)15-6-4-3-5-12(15)16(23)22-11-7-8-14(18)13(9-11)17(19,20)21/h3-10H,1-2H3,(H,22,23)
InChIKeyMECNESISYSYGBW-UHFFFAOYSA-N
XLogP4.79
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.83
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(benzenesulfonamido)-2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]benzamide
CID 28634197
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxybenzamide
CID 729859
2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-fluorobenzamide
CID 110452028
propan-2-yl N-[4-chloro-3-(trifluoromethyl)phenyl]carbamate
CID 51062424
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methoxynaphthalene-2-carboxamide
CID 7930859
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide
CID 82134049
2-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 103751854
N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-2-propan-2-ylsulfonylbenzamide
CID 112822149
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 17168217
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 33314975
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-2-ethylsulfonyl-N-methylbenzamide
CID 55383063
(2S)-2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119263846

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-propan-2-ylsulfonylbenzamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-propan-2-ylsulfonylbenzamide (CID 39899496) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-propan-2-ylsulfonylbenzamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-propan-2-ylsulfonylbenzamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-propan-2-ylsulfonylbenzamide is CC(C)S(=O)(=O)c1ccccc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-propan-2-ylsulfonylbenzamide?
The InChIKey is MECNESISYSYGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3NO3S/c1-10(2)26(24,25)15-6-4-3-5-12(15)16(23)22-11-7-8-14(18)13(9-11)17(19,20)21/h3-10H,1-2H3,(H,22,23).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-propan-2-ylsulfonylbenzamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-propan-2-ylsulfonylbenzamide has a molecular weight of 405.83 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-propan-2-ylsulfonylbenzamide is sourced from PubChem (CID 39899496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).