butane-1-sulfonamide

C4H11NO2S — CID 18460

IUPACbutane-1-sulfonamide
SMILESCCCCS(N)(=O)=O
InChIInChI=1S/C4H11NO2S/c1-2-3-4-8(5,6)7/h2-4H2,1H3,(H2,5,6,7)
InChIKeyOVIZSQRQYWEGON-UHFFFAOYSA-N
MW137.20 g/mol
LogP0.08
Rot. Bonds3

About butane-1-sulfonamide

butane-1-sulfonamide (PubChem CID 18460) has the molecular formula C4H11NO2S and a molecular weight of 137.20 g/mol. Its IUPAC name is butane-1-sulfonamide.

Molecular Properties

Compound Namebutane-1-sulfonamide
PubChem CID18460
Molecular FormulaC4H11NO2S
Molecular Weight137.20 g/mol
Exact Mass137.05
IUPAC Namebutane-1-sulfonamide
SMILESCCCCS(N)(=O)=O
InChIInChI=1S/C4H11NO2S/c1-2-3-4-8(5,6)7/h2-4H2,1H3,(H2,5,6,7)
InChIKeyOVIZSQRQYWEGON-UHFFFAOYSA-N
XLogP0.08
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.20
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Ethanesulfonamide
CID 73702
Butane-1-sulfonate
CID 3704751
2-Pentanesulfonamide
CID 205367
Propane-2-sulfonamide
CID 3549191
1-Pentanesulfonamide
CID 10920696
Propane-1-sulphonamide
CID 3401849
2-Methylpropane-1-sulfonamide
CID 10197726
N-methylbutane-1-sulfonamide
CID 13343581
3,3-Dimethylbutane-1-sulfonamide
CID 51892333
Hexane-1-sulfonamide
CID 13537577
Cyclopentanesulfonamide
CID 4645983
N-Methylpropane-1-sulfonamide
CID 14399856

Frequently Asked Questions

What is the IUPAC name of butane-1-sulfonamide?
The IUPAC name of butane-1-sulfonamide (CID 18460) is butane-1-sulfonamide.
What is the SMILES notation for butane-1-sulfonamide?
The canonical SMILES for butane-1-sulfonamide is CCCCS(N)(=O)=O.
What is the InChIKey of butane-1-sulfonamide?
The InChIKey is OVIZSQRQYWEGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2S/c1-2-3-4-8(5,6)7/h2-4H2,1H3,(H2,5,6,7).
What are the key properties of butane-1-sulfonamide?
butane-1-sulfonamide has a molecular weight of 137.20 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane-1-sulfonamide is sourced from PubChem (CID 18460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).