2,4-difluoro-3-(hydroxymethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide

C11H10F5NO3S — CID 106218443

IUPAC2,4-difluoro-3-(hydroxymethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
SMILESO=S(=O)(NC1(C(F)(F)F)CC1)c1ccc(F)c(CO)c1F
InChIInChI=1S/C11H10F5NO3S/c12-7-1-2-8(9(13)6(7)5-18)21(19,20)17-10(3-4-10)11(14,15)16/h1-2,17-18H,3-5H2
InChIKeyNEUKYHDQAZNUBK-UHFFFAOYSA-N
MW331.26 g/mol
LogP1.83
Rot. Bonds4

About 2,4-difluoro-3-(hydroxymethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide

2,4-difluoro-3-(hydroxymethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide (PubChem CID 106218443) has the molecular formula C11H10F5NO3S and a molecular weight of 331.26 g/mol. Its IUPAC name is 2,4-difluoro-3-(hydroxymethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-3-(hydroxymethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
PubChem CID106218443
Molecular FormulaC11H10F5NO3S
Molecular Weight331.26 g/mol
Exact Mass331.03
IUPAC Name2,4-difluoro-3-(hydroxymethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
SMILESO=S(=O)(NC1(C(F)(F)F)CC1)c1ccc(F)c(CO)c1F
InChIInChI=1S/C11H10F5NO3S/c12-7-1-2-8(9(13)6(7)5-18)21(19,20)17-10(3-4-10)11(14,15)16/h1-2,17-18H,3-5H2
InChIKeyNEUKYHDQAZNUBK-UHFFFAOYSA-N
XLogP1.83
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.26
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-3-(hydroxymethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]benzenesulfonamide
CID 106002246
2,5-difluoro-N-[4-(trifluoromethyl)oxan-4-yl]benzenesulfonamide
CID 86770880
2-amino-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 114158366
2-bromo-5-(hydroxymethyl)-3-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106218435
2,3,4-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 62521074
2,3,4-trifluoro-N-[1-(hydroxymethyl)cyclobutyl]benzenesulfonamide
CID 115903044
5-amino-3-bromo-2-fluoro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106208595
5-(hydroxymethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrrole-3-sulfonamide
CID 106218429
2-bromo-4-(methylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106218751
3-(hydroxymethyl)-4-methoxy-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106218479
2-(aminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide
CID 106217438
4-(hydroxymethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-5-sulfonamide
CID 106218444

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-3-(hydroxymethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-3-(hydroxymethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide (CID 106218443) is 2,4-difluoro-3-(hydroxymethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-3-(hydroxymethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-3-(hydroxymethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide is O=S(=O)(NC1(C(F)(F)F)CC1)c1ccc(F)c(CO)c1F.
What is the InChIKey of 2,4-difluoro-3-(hydroxymethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide?
The InChIKey is NEUKYHDQAZNUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F5NO3S/c12-7-1-2-8(9(13)6(7)5-18)21(19,20)17-10(3-4-10)11(14,15)16/h1-2,17-18H,3-5H2.
What are the key properties of 2,4-difluoro-3-(hydroxymethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide?
2,4-difluoro-3-(hydroxymethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide has a molecular weight of 331.26 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-3-(hydroxymethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide is sourced from PubChem (CID 106218443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).