3-(benzenesulfonyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide

C16H13ClF3NO3S — CID 110294989

IUPAC3-(benzenesulfonyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C16H13ClF3NO3S/c17-11-6-7-14(13(10-11)16(18,19)20)21-15(22)8-9-25(23,24)12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,21,22)
InChIKeyJLTPZHHJXYVKNG-UHFFFAOYSA-N
MW391.80 g/mol
LogP4.16
Rot. Bonds5

About 3-(benzenesulfonyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide

3-(benzenesulfonyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide (PubChem CID 110294989) has the molecular formula C16H13ClF3NO3S and a molecular weight of 391.80 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
PubChem CID110294989
Molecular FormulaC16H13ClF3NO3S
Molecular Weight391.80 g/mol
Exact Mass391.03
IUPAC Name3-(benzenesulfonyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C16H13ClF3NO3S/c17-11-6-7-14(13(10-11)16(18,19)20)21-15(22)8-9-25(23,24)12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,21,22)
InChIKeyJLTPZHHJXYVKNG-UHFFFAOYSA-N
XLogP4.16
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.80
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-4-phenylbutanamide
CID 842100
2-[benzenesulfonyl(methyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 45372832
3-(benzenesulfonyl)-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]propanamide
CID 41235092
3-(4-chlorophenyl)sulfonyl-N-(2,4-dichlorophenyl)propanamide
CID 26589989
3-[benzyl(methyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 109020666
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(N-ethylanilino)propanamide
CID 109036576
benzyl 6-[4-chloro-2-(trifluoromethyl)anilino]-6-oxohexanoate
CID 139776728
2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109009727
N-(2-aminophenyl)-3-(benzenesulfonyl)propanamide
CID 43444138
N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801878
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methylphenyl)acetamide
CID 17168115
3-(4-chlorophenyl)sulfonyl-N-(2-phenylphenyl)propanamide
CID 18076702

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide (CID 110294989) is 3-(benzenesulfonyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide is O=C(CCS(=O)(=O)c1ccccc1)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 3-(benzenesulfonyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is JLTPZHHJXYVKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3NO3S/c17-11-6-7-14(13(10-11)16(18,19)20)21-15(22)8-9-25(23,24)12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,21,22).
What are the key properties of 3-(benzenesulfonyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide?
3-(benzenesulfonyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 391.80 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 110294989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).