N-(6-iodohexyl)butane-1-sulfonamide

C10H22INO2S — CID 107848989

IUPACN-(6-iodohexyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCCCCCI
InChIInChI=1S/C10H22INO2S/c1-2-3-10-15(13,14)12-9-7-5-4-6-8-11/h12H,2-10H2,1H3
InChIKeySHSQPTDTSVHSAX-UHFFFAOYSA-N
MW347.26 g/mol
LogP2.70
Rot. Bonds10

About N-(6-iodohexyl)butane-1-sulfonamide

N-(6-iodohexyl)butane-1-sulfonamide (PubChem CID 107848989) has the molecular formula C10H22INO2S and a molecular weight of 347.26 g/mol. Its IUPAC name is N-(6-iodohexyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(6-iodohexyl)butane-1-sulfonamide
PubChem CID107848989
Molecular FormulaC10H22INO2S
Molecular Weight347.26 g/mol
Exact Mass347.04
IUPAC NameN-(6-iodohexyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCCCCCI
InChIInChI=1S/C10H22INO2S/c1-2-3-10-15(13,14)12-9-7-5-4-6-8-11/h12H,2-10H2,1H3
InChIKeySHSQPTDTSVHSAX-UHFFFAOYSA-N
XLogP2.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-decylbutane-1-sulfonamide
CID 19681427
N-octadecylpropane-1-sulfonamide
CID 88827291
N-(5-bromopentyl)butane-1-sulfonamide
CID 107323070
7-(butylsulfonylamino)heptanoic acid
CID 24704780
2-ethoxy-N-(4-iodobutyl)ethanesulfonamide
CID 106846595
6-chloro-N-pentylhexane-1-sulfonamide
CID 57134163
N,N'-dihexadecylmethanedisulfonamide
CID 140586841
N-(10-cyanodecyl)decane-1-sulfonamide
CID 152541431
N-(5-iodopentyl)methanesulfonamide
CID 107322901
N-[2-(propylamino)ethyl]butane-1-sulfonamide
CID 62663882
N-(2-sulfamoylethyl)butane-1-sulfonamide
CID 61131734
2-(dimethylamino)-N-octadecylethanesulfonamide
CID 91693805

Frequently Asked Questions

What is the IUPAC name of N-(6-iodohexyl)butane-1-sulfonamide?
The IUPAC name of N-(6-iodohexyl)butane-1-sulfonamide (CID 107848989) is N-(6-iodohexyl)butane-1-sulfonamide.
What is the SMILES notation for N-(6-iodohexyl)butane-1-sulfonamide?
The canonical SMILES for N-(6-iodohexyl)butane-1-sulfonamide is CCCCS(=O)(=O)NCCCCCCI.
What is the InChIKey of N-(6-iodohexyl)butane-1-sulfonamide?
The InChIKey is SHSQPTDTSVHSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22INO2S/c1-2-3-10-15(13,14)12-9-7-5-4-6-8-11/h12H,2-10H2,1H3.
What are the key properties of N-(6-iodohexyl)butane-1-sulfonamide?
N-(6-iodohexyl)butane-1-sulfonamide has a molecular weight of 347.26 g/mol, XLogP of 2.70, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-iodohexyl)butane-1-sulfonamide is sourced from PubChem (CID 107848989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).