N-cyclopropyl-4-fluoro-2-(4-hydroxybut-1-ynyl)benzenesulfonamide

C13H14FNO3S — CID 54926202

IUPACN-cyclopropyl-4-fluoro-2-(4-hydroxybut-1-ynyl)benzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccc(F)cc1C#CCCO
InChIInChI=1S/C13H14FNO3S/c14-11-4-7-13(10(9-11)3-1-2-8-16)19(17,18)15-12-5-6-12/h4,7,9,12,15-16H,2,5-6,8H2
InChIKeyOFRQZIHZEKLLNG-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.00
Rot. Bonds4

About N-cyclopropyl-4-fluoro-2-(4-hydroxybut-1-ynyl)benzenesulfonamide

N-cyclopropyl-4-fluoro-2-(4-hydroxybut-1-ynyl)benzenesulfonamide (PubChem CID 54926202) has the molecular formula C13H14FNO3S and a molecular weight of 283.32 g/mol. Its IUPAC name is N-cyclopropyl-4-fluoro-2-(4-hydroxybut-1-ynyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-fluoro-2-(4-hydroxybut-1-ynyl)benzenesulfonamide
PubChem CID54926202
Molecular FormulaC13H14FNO3S
Molecular Weight283.32 g/mol
Exact Mass283.07
IUPAC NameN-cyclopropyl-4-fluoro-2-(4-hydroxybut-1-ynyl)benzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccc(F)cc1C#CCCO
InChIInChI=1S/C13H14FNO3S/c14-11-4-7-13(10(9-11)3-1-2-8-16)19(17,18)15-12-5-6-12/h4,7,9,12,15-16H,2,5-6,8H2
InChIKeyOFRQZIHZEKLLNG-UHFFFAOYSA-N
XLogP1.00
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(oxan-3-yl)benzenesulfonamide
CID 63362196
2-(4-hydroxybut-1-ynyl)-N-(oxan-4-yl)benzenesulfonamide
CID 60823701
2-(3-aminoprop-1-ynyl)-4-fluoro-N-(thiolan-3-yl)benzenesulfonamide
CID 103064513
N-cyclopropyl-4-(4-hydroxybut-1-ynyl)-3-methylbenzenesulfonamide
CID 54926200
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(thiadiazol-5-yl)benzenesulfonamide
CID 114913900
N-[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]cyclopentanesulfonamide
CID 105361499
2-chloro-N-cyclopentyl-4-(4-hydroxybut-1-ynyl)benzenesulfonamide
CID 60824580
N-cyclopentyl-5-(4-hydroxybut-1-ynyl)-2-methylbenzenesulfonamide
CID 60824735
3-(4-hydroxybut-1-ynyl)-N-(oxan-4-yl)benzenesulfonamide
CID 60823700
methyl 2-[[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]sulfonylamino]acetate
CID 60824282
N-[4-(ethylamino)cyclohexyl]-2,5-difluorobenzenesulfonamide
CID 43653555
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-pyrimidin-2-ylbenzenesulfonamide
CID 60844745

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-fluoro-2-(4-hydroxybut-1-ynyl)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-fluoro-2-(4-hydroxybut-1-ynyl)benzenesulfonamide (CID 54926202) is N-cyclopropyl-4-fluoro-2-(4-hydroxybut-1-ynyl)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-fluoro-2-(4-hydroxybut-1-ynyl)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-fluoro-2-(4-hydroxybut-1-ynyl)benzenesulfonamide is O=S(=O)(NC1CC1)c1ccc(F)cc1C#CCCO.
What is the InChIKey of N-cyclopropyl-4-fluoro-2-(4-hydroxybut-1-ynyl)benzenesulfonamide?
The InChIKey is OFRQZIHZEKLLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3S/c14-11-4-7-13(10(9-11)3-1-2-8-16)19(17,18)15-12-5-6-12/h4,7,9,12,15-16H,2,5-6,8H2.
What are the key properties of N-cyclopropyl-4-fluoro-2-(4-hydroxybut-1-ynyl)benzenesulfonamide?
N-cyclopropyl-4-fluoro-2-(4-hydroxybut-1-ynyl)benzenesulfonamide has a molecular weight of 283.32 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-fluoro-2-(4-hydroxybut-1-ynyl)benzenesulfonamide is sourced from PubChem (CID 54926202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).