butane-1-sulfonamide;trifluoromethanesulfonamide

C5H13F3N2O4S2 — CID 87836175

IUPACbutane-1-sulfonamide;trifluoromethanesulfonamide
SMILESCCCCS(N)(=O)=O.NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H11NO2S.CH2F3NO2S/c1-2-3-4-8(5,6)7;2-1(3,4)8(5,6)7/h2-4H2,1H3,(H2,5,6,7);(H2,5,6,7)
InChIKeyMGHNTLQRLPLKKF-UHFFFAOYSA-N
MW286.30 g/mol
LogP-0.13
Rot. Bonds3

About butane-1-sulfonamide;trifluoromethanesulfonamide

butane-1-sulfonamide;trifluoromethanesulfonamide (PubChem CID 87836175) has the molecular formula C5H13F3N2O4S2 and a molecular weight of 286.30 g/mol. Its IUPAC name is butane-1-sulfonamide;trifluoromethanesulfonamide.

Molecular Properties

Compound Namebutane-1-sulfonamide;trifluoromethanesulfonamide
PubChem CID87836175
Molecular FormulaC5H13F3N2O4S2
Molecular Weight286.30 g/mol
Exact Mass286.03
IUPAC Namebutane-1-sulfonamide;trifluoromethanesulfonamide
SMILESCCCCS(N)(=O)=O.NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H11NO2S.CH2F3NO2S/c1-2-3-4-8(5,6)7;2-1(3,4)8(5,6)7/h2-4H2,1H3,(H2,5,6,7);(H2,5,6,7)
InChIKeyMGHNTLQRLPLKKF-UHFFFAOYSA-N
XLogP-0.13
TPSA120.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

butane-1-sulfonamide;dihydrochloride
CID 140980497
CID 175918224
CID 175918224
octadecan-1-amine;bis(trifluoromethanesulfonamide)
CID 118481612
pentacosane-1-sulfonamide
CID 149252389
N-(2-sulfamoylethyl)butane-1-sulfonamide
CID 61131734
5,5-diethylnonane-1-sulfonamide
CID 57243895
trifluoromethanesulfonamide;trimethyl(propyl)azanium
CID 87657306
azane;bis(trifluoromethanesulfonamide)
CID 171927833
CID 87103721
CID 87103721
indigane;trifluoromethanesulfonamide
CID 174794253
propane-1,3-disulfonamide
CID 22153832
CID 87784182
CID 87784182

Frequently Asked Questions

What is the IUPAC name of butane-1-sulfonamide;trifluoromethanesulfonamide?
The IUPAC name of butane-1-sulfonamide;trifluoromethanesulfonamide (CID 87836175) is butane-1-sulfonamide;trifluoromethanesulfonamide.
What is the SMILES notation for butane-1-sulfonamide;trifluoromethanesulfonamide?
The canonical SMILES for butane-1-sulfonamide;trifluoromethanesulfonamide is CCCCS(N)(=O)=O.NS(=O)(=O)C(F)(F)F.
What is the InChIKey of butane-1-sulfonamide;trifluoromethanesulfonamide?
The InChIKey is MGHNTLQRLPLKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2S.CH2F3NO2S/c1-2-3-4-8(5,6)7;2-1(3,4)8(5,6)7/h2-4H2,1H3,(H2,5,6,7);(H2,5,6,7).
What are the key properties of butane-1-sulfonamide;trifluoromethanesulfonamide?
butane-1-sulfonamide;trifluoromethanesulfonamide has a molecular weight of 286.30 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butane-1-sulfonamide;trifluoromethanesulfonamide is sourced from PubChem (CID 87836175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).