6-chloro-N-pentylhexane-1-sulfonamide

C11H24ClNO2S — CID 57134163

IUPAC6-chloro-N-pentylhexane-1-sulfonamide
SMILESCCCCCNS(=O)(=O)CCCCCCCl
InChIInChI=1S/C11H24ClNO2S/c1-2-3-7-10-13-16(14,15)11-8-5-4-6-9-12/h13H,2-11H2,1H3
InChIKeyNLDPVQMMNQFWRH-UHFFFAOYSA-N
MW269.84 g/mol
LogP2.90
Rot. Bonds11

About 6-chloro-N-pentylhexane-1-sulfonamide

6-chloro-N-pentylhexane-1-sulfonamide (PubChem CID 57134163) has the molecular formula C11H24ClNO2S and a molecular weight of 269.84 g/mol. Its IUPAC name is 6-chloro-N-pentylhexane-1-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-pentylhexane-1-sulfonamide
PubChem CID57134163
Molecular FormulaC11H24ClNO2S
Molecular Weight269.84 g/mol
Exact Mass269.12
IUPAC Name6-chloro-N-pentylhexane-1-sulfonamide
SMILESCCCCCNS(=O)(=O)CCCCCCCl
InChIInChI=1S/C11H24ClNO2S/c1-2-3-7-10-13-16(14,15)11-8-5-4-6-9-12/h13H,2-11H2,1H3
InChIKeyNLDPVQMMNQFWRH-UHFFFAOYSA-N
XLogP2.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.84
LogP ≤ 52.90
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'}

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Related Compounds

N-decylbutane-1-sulfonamide
CID 19681427
N-octadecylpropane-1-sulfonamide
CID 88827291
N-(2-butoxyethyl)-4-chlorobutane-1-sulfonamide
CID 116815923
N-(6-chlorohexyl)-2-methylsulfonylethanesulfonamide
CID 107849083
N-(10-cyanodecyl)decane-1-sulfonamide
CID 152541431
N-[3-(ethylamino)propyl]nonane-1-sulfonamide
CID 59769773
N,N'-dihexadecylmethanedisulfonamide
CID 140586841
11-(octylsulfonylamino)undecanoic acid
CID 4605614
N-(2-hydroxyethyl)decane-1-sulfonamide
CID 171981376
N-(5-bromopentyl)butane-1-sulfonamide
CID 107323070
N-(6-iodohexyl)butane-1-sulfonamide
CID 107848989
4-chloro-N-(3-methylsulfinylpropyl)butane-1-sulfonamide
CID 116816553

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-pentylhexane-1-sulfonamide?
The IUPAC name of 6-chloro-N-pentylhexane-1-sulfonamide (CID 57134163) is 6-chloro-N-pentylhexane-1-sulfonamide.
What is the SMILES notation for 6-chloro-N-pentylhexane-1-sulfonamide?
The canonical SMILES for 6-chloro-N-pentylhexane-1-sulfonamide is CCCCCNS(=O)(=O)CCCCCCCl.
What is the InChIKey of 6-chloro-N-pentylhexane-1-sulfonamide?
The InChIKey is NLDPVQMMNQFWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClNO2S/c1-2-3-7-10-13-16(14,15)11-8-5-4-6-9-12/h13H,2-11H2,1H3.
What are the key properties of 6-chloro-N-pentylhexane-1-sulfonamide?
6-chloro-N-pentylhexane-1-sulfonamide has a molecular weight of 269.84 g/mol, XLogP of 2.90, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-pentylhexane-1-sulfonamide is sourced from PubChem (CID 57134163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).