N-decylbutane-1-sulfonamide

C14H31NO2S — CID 19681427

IUPACN-decylbutane-1-sulfonamide
SMILESCCCCCCCCCCNS(=O)(=O)CCCC
InChIInChI=1S/C14H31NO2S/c1-3-5-7-8-9-10-11-12-13-15-18(16,17)14-6-4-2/h15H,3-14H2,1-2H3
InChIKeyHKARYMGCMACXKI-UHFFFAOYSA-N
MW277.47 g/mol
LogP3.85
Rot. Bonds13

About N-decylbutane-1-sulfonamide

N-decylbutane-1-sulfonamide (PubChem CID 19681427) has the molecular formula C14H31NO2S and a molecular weight of 277.47 g/mol. Its IUPAC name is N-decylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-decylbutane-1-sulfonamide
PubChem CID19681427
Molecular FormulaC14H31NO2S
Molecular Weight277.47 g/mol
Exact Mass277.21
IUPAC NameN-decylbutane-1-sulfonamide
SMILESCCCCCCCCCCNS(=O)(=O)CCCC
InChIInChI=1S/C14H31NO2S/c1-3-5-7-8-9-10-11-12-13-15-18(16,17)14-6-4-2/h15H,3-14H2,1-2H3
InChIKeyHKARYMGCMACXKI-UHFFFAOYSA-N
XLogP3.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.47
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-octadecylpropane-1-sulfonamide
CID 88827291
N-(5-bromopentyl)butane-1-sulfonamide
CID 107323070
N-(6-iodohexyl)butane-1-sulfonamide
CID 107848989
6-chloro-N-pentylhexane-1-sulfonamide
CID 57134163
N,N'-dihexadecylmethanedisulfonamide
CID 140586841
7-(butylsulfonylamino)heptanoic acid
CID 24704780
N-(10-cyanodecyl)decane-1-sulfonamide
CID 152541431
2-(dimethylamino)-N-octadecylethanesulfonamide
CID 91693805
N-[3-(ethylamino)propyl]nonane-1-sulfonamide
CID 59769773
11-(octylsulfonylamino)undecanoic acid
CID 4605614
N-(2-hydroxyethyl)decane-1-sulfonamide
CID 171981376
N-[2-(propylamino)ethyl]butane-1-sulfonamide
CID 62663882

Frequently Asked Questions

What is the IUPAC name of N-decylbutane-1-sulfonamide?
The IUPAC name of N-decylbutane-1-sulfonamide (CID 19681427) is N-decylbutane-1-sulfonamide.
What is the SMILES notation for N-decylbutane-1-sulfonamide?
The canonical SMILES for N-decylbutane-1-sulfonamide is CCCCCCCCCCNS(=O)(=O)CCCC.
What is the InChIKey of N-decylbutane-1-sulfonamide?
The InChIKey is HKARYMGCMACXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2S/c1-3-5-7-8-9-10-11-12-13-15-18(16,17)14-6-4-2/h15H,3-14H2,1-2H3.
What are the key properties of N-decylbutane-1-sulfonamide?
N-decylbutane-1-sulfonamide has a molecular weight of 277.47 g/mol, XLogP of 3.85, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-decylbutane-1-sulfonamide is sourced from PubChem (CID 19681427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).