2-fluoro-N-propan-2-ylethanesulfonamide

C5H12FNO2S — CID 168726693

IUPAC2-fluoro-N-propan-2-ylethanesulfonamide
SMILESCC(C)NS(=O)(=O)CCF
InChIInChI=1S/C5H12FNO2S/c1-5(2)7-10(8,9)4-3-6/h5,7H,3-4H2,1-2H3
InChIKeyZGRBSHGBQNCKSU-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.28
Rot. Bonds4

About 2-fluoro-N-propan-2-ylethanesulfonamide

2-fluoro-N-propan-2-ylethanesulfonamide (PubChem CID 168726693) has the molecular formula C5H12FNO2S and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-fluoro-N-propan-2-ylethanesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-propan-2-ylethanesulfonamide
PubChem CID168726693
Molecular FormulaC5H12FNO2S
Molecular Weight169.22 g/mol
Exact Mass169.06
IUPAC Name2-fluoro-N-propan-2-ylethanesulfonamide
SMILESCC(C)NS(=O)(=O)CCF
InChIInChI=1S/C5H12FNO2S/c1-5(2)7-10(8,9)4-3-6/h5,7H,3-4H2,1-2H3
InChIKeyZGRBSHGBQNCKSU-UHFFFAOYSA-N
XLogP0.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(propan-2-yl)methanesulfonamide
CID 312702
2-Amino-1-butanesulfonic acid
CID 222929
N-ethylethane-1-sulfonamide
CID 3302035
2-amino-N-(propan-2-yl)ethane-1-sulfonamide hydrochloride
CID 47002472
N-cyclopropylpropane-2-sulfonamide
CID 57881411
3-Methyl-1,2-thiazolidine 1,1-dioxide
CID 67380814
2-amino-N,N-dimethylpropane-1-sulfonamide
CID 82074759
2-amino-3,3,3-trifluoro-N,N-dimethylpropane-1-sulfonamide
CID 119030899
(2R)-2-aminopropane-1-sulfonamide hydrochloride
CID 137952111
2-Aminopropane-1-sulfonylfluoridehydrochloride
CID 154814459
1,2-Dimethyl taurine
CID 15700882
(R)-3-methylisothiazolidine 1,1-dioxide
CID 16664802

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-propan-2-ylethanesulfonamide?
The IUPAC name of 2-fluoro-N-propan-2-ylethanesulfonamide (CID 168726693) is 2-fluoro-N-propan-2-ylethanesulfonamide.
What is the SMILES notation for 2-fluoro-N-propan-2-ylethanesulfonamide?
The canonical SMILES for 2-fluoro-N-propan-2-ylethanesulfonamide is CC(C)NS(=O)(=O)CCF.
What is the InChIKey of 2-fluoro-N-propan-2-ylethanesulfonamide?
The InChIKey is ZGRBSHGBQNCKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FNO2S/c1-5(2)7-10(8,9)4-3-6/h5,7H,3-4H2,1-2H3.
What are the key properties of 2-fluoro-N-propan-2-ylethanesulfonamide?
2-fluoro-N-propan-2-ylethanesulfonamide has a molecular weight of 169.22 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-propan-2-ylethanesulfonamide is sourced from PubChem (CID 168726693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).