4,4,4-trifluoro-N-[3-(1-hydroxyethyl)phenyl]butane-1-sulfonamide

C12H16F3NO3S — CID 83059413

IUPAC4,4,4-trifluoro-N-[3-(1-hydroxyethyl)phenyl]butane-1-sulfonamide
SMILESCC(O)c1cccc(NS(=O)(=O)CCCC(F)(F)F)c1
InChIInChI=1S/C12H16F3NO3S/c1-9(17)10-4-2-5-11(8-10)16-20(18,19)7-3-6-12(13,14)15/h2,4-5,8-9,16-17H,3,6-7H2,1H3
InChIKeyOOUNUSIWPLMQTC-UHFFFAOYSA-N
MW311.33 g/mol
LogP2.82
Rot. Bonds6

About 4,4,4-trifluoro-N-[3-(1-hydroxyethyl)phenyl]butane-1-sulfonamide

4,4,4-trifluoro-N-[3-(1-hydroxyethyl)phenyl]butane-1-sulfonamide (PubChem CID 83059413) has the molecular formula C12H16F3NO3S and a molecular weight of 311.33 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[3-(1-hydroxyethyl)phenyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[3-(1-hydroxyethyl)phenyl]butane-1-sulfonamide
PubChem CID83059413
Molecular FormulaC12H16F3NO3S
Molecular Weight311.33 g/mol
Exact Mass311.08
IUPAC Name4,4,4-trifluoro-N-[3-(1-hydroxyethyl)phenyl]butane-1-sulfonamide
SMILESCC(O)c1cccc(NS(=O)(=O)CCCC(F)(F)F)c1
InChIInChI=1S/C12H16F3NO3S/c1-9(17)10-4-2-5-11(8-10)16-20(18,19)7-3-6-12(13,14)15/h2,4-5,8-9,16-17H,3,6-7H2,1H3
InChIKeyOOUNUSIWPLMQTC-UHFFFAOYSA-N
XLogP2.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,4,4-trifluoro-N-[4-(1-hydroxyethyl)phenyl]butane-1-sulfonamide
CID 83059273
N-[4-(1-aminoethyl)phenyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83068409
1-(1-hydroxyethyl)-3-(sulfamoylamino)benzene
CID 114959286
N-(3-amino-4-ethylphenyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83067721
N-[3-[1-(ethylamino)ethyl]phenyl]butane-1-sulfonamide
CID 43508144
4,4,4-trifluoro-N-[3-(6-methylnaphthalen-1-yl)oxyphenyl]butane-1-sulfonamide
CID 57129065
2,5-difluoro-N-[3-(1-hydroxyethyl)phenyl]benzenesulfonamide
CID 43508632
methyl 4-[[3-(trifluoromethyl)phenyl]sulfamoyl]butanoate
CID 61460357
5-fluoro-N-[3-(1-hydroxyethyl)phenyl]-2-methylbenzenesulfonamide
CID 43508629
4-fluoro-N-[3-(1-hydroxyethyl)phenyl]-2-methylbenzenesulfonamide
CID 43508631
N,N'-bis(3-hydroxyphenyl)octane-1,8-disulfonamide
CID 3585526
N-[3-(1-hydroxyethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103209213

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[3-(1-hydroxyethyl)phenyl]butane-1-sulfonamide?
The IUPAC name of 4,4,4-trifluoro-N-[3-(1-hydroxyethyl)phenyl]butane-1-sulfonamide (CID 83059413) is 4,4,4-trifluoro-N-[3-(1-hydroxyethyl)phenyl]butane-1-sulfonamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[3-(1-hydroxyethyl)phenyl]butane-1-sulfonamide?
The canonical SMILES for 4,4,4-trifluoro-N-[3-(1-hydroxyethyl)phenyl]butane-1-sulfonamide is CC(O)c1cccc(NS(=O)(=O)CCCC(F)(F)F)c1.
What is the InChIKey of 4,4,4-trifluoro-N-[3-(1-hydroxyethyl)phenyl]butane-1-sulfonamide?
The InChIKey is OOUNUSIWPLMQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO3S/c1-9(17)10-4-2-5-11(8-10)16-20(18,19)7-3-6-12(13,14)15/h2,4-5,8-9,16-17H,3,6-7H2,1H3.
What are the key properties of 4,4,4-trifluoro-N-[3-(1-hydroxyethyl)phenyl]butane-1-sulfonamide?
4,4,4-trifluoro-N-[3-(1-hydroxyethyl)phenyl]butane-1-sulfonamide has a molecular weight of 311.33 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[3-(1-hydroxyethyl)phenyl]butane-1-sulfonamide is sourced from PubChem (CID 83059413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).