acetic acid;butane-1-sulfonamide

C6H15NO4S — CID 162325036

IUPACacetic acid;butane-1-sulfonamide
SMILESCC(=O)O.CCCCS(N)(=O)=O
InChIInChI=1S/C4H11NO2S.C2H4O2/c1-2-3-4-8(5,6)7;1-2(3)4/h2-4H2,1H3,(H2,5,6,7);1H3,(H,3,4)
InChIKeyDVHPRKBOUQNFTF-UHFFFAOYSA-N
MW197.26 g/mol
LogP0.17
Rot. Bonds3

About acetic acid;butane-1-sulfonamide

acetic acid;butane-1-sulfonamide (PubChem CID 162325036) has the molecular formula C6H15NO4S and a molecular weight of 197.26 g/mol. Its IUPAC name is acetic acid;butane-1-sulfonamide.

Molecular Properties

Compound Nameacetic acid;butane-1-sulfonamide
PubChem CID162325036
Molecular FormulaC6H15NO4S
Molecular Weight197.26 g/mol
Exact Mass197.07
IUPAC Nameacetic acid;butane-1-sulfonamide
SMILESCC(=O)O.CCCCS(N)(=O)=O
InChIInChI=1S/C4H11NO2S.C2H4O2/c1-2-3-4-8(5,6)7;1-2(3)4/h2-4H2,1H3,(H2,5,6,7);1H3,(H,3,4)
InChIKeyDVHPRKBOUQNFTF-UHFFFAOYSA-N
XLogP0.17
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of acetic acid;butane-1-sulfonamide?
The IUPAC name of acetic acid;butane-1-sulfonamide (CID 162325036) is acetic acid;butane-1-sulfonamide.
What is the SMILES notation for acetic acid;butane-1-sulfonamide?
The canonical SMILES for acetic acid;butane-1-sulfonamide is CC(=O)O.CCCCS(N)(=O)=O.
What is the InChIKey of acetic acid;butane-1-sulfonamide?
The InChIKey is DVHPRKBOUQNFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2S.C2H4O2/c1-2-3-4-8(5,6)7;1-2(3)4/h2-4H2,1H3,(H2,5,6,7);1H3,(H,3,4).
What are the key properties of acetic acid;butane-1-sulfonamide?
acetic acid;butane-1-sulfonamide has a molecular weight of 197.26 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;butane-1-sulfonamide is sourced from PubChem (CID 162325036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).