N-butyl-6-chloro-N-methylhexane-1-sulfonamide

C11H24ClNO2S — CID 86756219

IUPACN-butyl-6-chloro-N-methylhexane-1-sulfonamide
SMILESCCCCN(C)S(=O)(=O)CCCCCCCl
InChIInChI=1S/C11H24ClNO2S/c1-3-4-10-13(2)16(14,15)11-8-6-5-7-9-12/h3-11H2,1-2H3
InChIKeyRNJHFMPEOFRAAW-UHFFFAOYSA-N
MW269.84 g/mol
LogP2.85
Rot. Bonds10

About N-butyl-6-chloro-N-methylhexane-1-sulfonamide

N-butyl-6-chloro-N-methylhexane-1-sulfonamide (PubChem CID 86756219) has the molecular formula C11H24ClNO2S and a molecular weight of 269.84 g/mol. Its IUPAC name is N-butyl-6-chloro-N-methylhexane-1-sulfonamide.

Molecular Properties

Compound NameN-butyl-6-chloro-N-methylhexane-1-sulfonamide
PubChem CID86756219
Molecular FormulaC11H24ClNO2S
Molecular Weight269.84 g/mol
Exact Mass269.12
IUPAC NameN-butyl-6-chloro-N-methylhexane-1-sulfonamide
SMILESCCCCN(C)S(=O)(=O)CCCCCCCl
InChIInChI=1S/C11H24ClNO2S/c1-3-4-10-13(2)16(14,15)11-8-6-5-7-9-12/h3-11H2,1-2H3
InChIKeyRNJHFMPEOFRAAW-UHFFFAOYSA-N
XLogP2.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.84
LogP ≤ 52.85
H-Bond Donors ≤ 50
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

5-chloro-N-(2,2,3,3,4,4,4-heptafluorobutyl)-N-methyl-pentanesulfonamide
CID 19711032
N-(5-chloropentyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide
CID 107206473
N-butyl-4-chloro-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide
CID 113567753
N,N-dibutyl-3-chloropropane-1-sulfonamide
CID 14598843
7-chloro-N,N-dimethylheptane-1-sulfonamide
CID 17794238
N-butyl-5-chloro-N-methyl-pentanesulfonamide
CID 19711033
5-chloro-N,N-dimethylpentane-1-sulfonamide
CID 22111531
N,N-diethyl-6-chlorohexanesulfonamide
CID 22111559
5-chloro-N,N-dipropylpentane-1-sulfonamide
CID 22111563
N,N-dibutyl-5-chloropentane-1-sulfonamide
CID 22111565
N,N-dimethyl-6-chlorohexanesulfonamide
CID 22111599
N,N-diethyl-5-chloropentanesulfonamide
CID 22111600

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-chloro-N-methylhexane-1-sulfonamide?
The IUPAC name of N-butyl-6-chloro-N-methylhexane-1-sulfonamide (CID 86756219) is N-butyl-6-chloro-N-methylhexane-1-sulfonamide.
What is the SMILES notation for N-butyl-6-chloro-N-methylhexane-1-sulfonamide?
The canonical SMILES for N-butyl-6-chloro-N-methylhexane-1-sulfonamide is CCCCN(C)S(=O)(=O)CCCCCCCl.
What is the InChIKey of N-butyl-6-chloro-N-methylhexane-1-sulfonamide?
The InChIKey is RNJHFMPEOFRAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClNO2S/c1-3-4-10-13(2)16(14,15)11-8-6-5-7-9-12/h3-11H2,1-2H3.
What are the key properties of N-butyl-6-chloro-N-methylhexane-1-sulfonamide?
N-butyl-6-chloro-N-methylhexane-1-sulfonamide has a molecular weight of 269.84 g/mol, XLogP of 2.85, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-chloro-N-methylhexane-1-sulfonamide is sourced from PubChem (CID 86756219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).