N-[4-(benzenesulfonyl)phenyl]-3,3,3-trifluoro-2-(hydroxymethyl)propanamide

C16H14F3NO4S — CID 142638017

IUPACN-[4-(benzenesulfonyl)phenyl]-3,3,3-trifluoro-2-(hydroxymethyl)propanamide
SMILESO=C(Nc1ccc(S(=O)(=O)c2ccccc2)cc1)C(CO)C(F)(F)F
InChIInChI=1S/C16H14F3NO4S/c17-16(18,19)14(10-21)15(22)20-11-6-8-13(9-7-11)25(23,24)12-4-2-1-3-5-12/h1-9,14,21H,10H2,(H,20,22)
InChIKeyGSSFZDRQGQSQDZ-UHFFFAOYSA-N
MW373.35 g/mol
LogP2.63
Rot. Bonds5

About N-[4-(benzenesulfonyl)phenyl]-3,3,3-trifluoro-2-(hydroxymethyl)propanamide

N-[4-(benzenesulfonyl)phenyl]-3,3,3-trifluoro-2-(hydroxymethyl)propanamide (PubChem CID 142638017) has the molecular formula C16H14F3NO4S and a molecular weight of 373.35 g/mol. Its IUPAC name is N-[4-(benzenesulfonyl)phenyl]-3,3,3-trifluoro-2-(hydroxymethyl)propanamide.

Molecular Properties

Compound NameN-[4-(benzenesulfonyl)phenyl]-3,3,3-trifluoro-2-(hydroxymethyl)propanamide
PubChem CID142638017
Molecular FormulaC16H14F3NO4S
Molecular Weight373.35 g/mol
Exact Mass373.06
IUPAC NameN-[4-(benzenesulfonyl)phenyl]-3,3,3-trifluoro-2-(hydroxymethyl)propanamide
SMILESO=C(Nc1ccc(S(=O)(=O)c2ccccc2)cc1)C(CO)C(F)(F)F
InChIInChI=1S/C16H14F3NO4S/c17-16(18,19)14(10-21)15(22)20-11-6-8-13(9-7-11)25(23,24)12-4-2-1-3-5-12/h1-9,14,21H,10H2,(H,20,22)
InChIKeyGSSFZDRQGQSQDZ-UHFFFAOYSA-N
XLogP2.63
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.35
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(benzenesulfonyl)phenyl]-2,2,2-trifluoroacetamide
CID 131852564
4-[4-(benzenesulfonyl)anilino]butanoic acid
CID 90075907
2,2-bis(benzenesulfonyl)-N-phenylacetamide
CID 17339954
4-[[2-(acetylsulfanylmethyl)-3,3,3-trifluoropropanoyl]amino]benzoic acid
CID 88611497
benzenesulfonylbenzene;oxalic acid
CID 67897674
4-(benzenesulfonyl)-N-ethylaniline
CID 10849008
2,3-dihydroxy-N-phenylpropanamide;hydrate
CID 141005572
2-(benzenesulfonyl)-N-(4-sulfamoylphenyl)propanamide
CID 164613992
N-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]benzamide
CID 174889531
2-[[4-(benzenesulfonyl)phenyl]carbamoyl]-3,4,5,6-tetrachlorobenzoic acid
CID 88891408
(2S)-N-(4-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28540814
2,2-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 4185684

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzenesulfonyl)phenyl]-3,3,3-trifluoro-2-(hydroxymethyl)propanamide?
The IUPAC name of N-[4-(benzenesulfonyl)phenyl]-3,3,3-trifluoro-2-(hydroxymethyl)propanamide (CID 142638017) is N-[4-(benzenesulfonyl)phenyl]-3,3,3-trifluoro-2-(hydroxymethyl)propanamide.
What is the SMILES notation for N-[4-(benzenesulfonyl)phenyl]-3,3,3-trifluoro-2-(hydroxymethyl)propanamide?
The canonical SMILES for N-[4-(benzenesulfonyl)phenyl]-3,3,3-trifluoro-2-(hydroxymethyl)propanamide is O=C(Nc1ccc(S(=O)(=O)c2ccccc2)cc1)C(CO)C(F)(F)F.
What is the InChIKey of N-[4-(benzenesulfonyl)phenyl]-3,3,3-trifluoro-2-(hydroxymethyl)propanamide?
The InChIKey is GSSFZDRQGQSQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO4S/c17-16(18,19)14(10-21)15(22)20-11-6-8-13(9-7-11)25(23,24)12-4-2-1-3-5-12/h1-9,14,21H,10H2,(H,20,22).
What are the key properties of N-[4-(benzenesulfonyl)phenyl]-3,3,3-trifluoro-2-(hydroxymethyl)propanamide?
N-[4-(benzenesulfonyl)phenyl]-3,3,3-trifluoro-2-(hydroxymethyl)propanamide has a molecular weight of 373.35 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzenesulfonyl)phenyl]-3,3,3-trifluoro-2-(hydroxymethyl)propanamide is sourced from PubChem (CID 142638017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).