N,N-dibutyl-6-chlorohexane-1-sulfonamide

C14H30ClNO2S — CID 22111601

IUPACN,N-dibutyl-6-chlorohexane-1-sulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)CCCCCCCl
InChIInChI=1S/C14H30ClNO2S/c1-3-5-12-16(13-6-4-2)19(17,18)14-10-8-7-9-11-15/h3-14H2,1-2H3
InChIKeyDIBNYZGONLDRQN-UHFFFAOYSA-N
MW311.92 g/mol
LogP4.02
Rot. Bonds13

About N,N-dibutyl-6-chlorohexane-1-sulfonamide

N,N-dibutyl-6-chlorohexane-1-sulfonamide (PubChem CID 22111601) has the molecular formula C14H30ClNO2S and a molecular weight of 311.92 g/mol. Its IUPAC name is N,N-dibutyl-6-chlorohexane-1-sulfonamide.

Molecular Properties

Compound NameN,N-dibutyl-6-chlorohexane-1-sulfonamide
PubChem CID22111601
Molecular FormulaC14H30ClNO2S
Molecular Weight311.92 g/mol
Exact Mass311.17
IUPAC NameN,N-dibutyl-6-chlorohexane-1-sulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)CCCCCCCl
InChIInChI=1S/C14H30ClNO2S/c1-3-5-12-16(13-6-4-2)19(17,18)14-10-8-7-9-11-15/h3-14H2,1-2H3
InChIKeyDIBNYZGONLDRQN-UHFFFAOYSA-N
XLogP4.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.92
LogP ≤ 54.02
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

N-butyl-3-chloro-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 54877348
4-chloro-N-propyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide
CID 65755127
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
3-chloro-N,N-diethylpropane-1-sulfonamide
CID 10262652
1-[(3-Chloropropyl)sulfonyl]piperidine
CID 10331256
N,N-dibutyl-3-chloropropane-1-sulfonamide
CID 14598843
7-chloro-N,N-dimethylheptane-1-sulfonamide
CID 17794238
3-chloro-N-(3,3-dimethylbutyl)-N-propylpropane-1-sulfonamide
CID 18735559
N-butyl-3-chloro-N-(3,3-dimethylbutyl)propane-1-sulfonamide
CID 18736055
N-butyl-5-chloro-N-methyl-pentanesulfonamide
CID 19711033
N,N-diethyl-6-chlorohexanesulfonamide
CID 22111559

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-6-chlorohexane-1-sulfonamide?
The IUPAC name of N,N-dibutyl-6-chlorohexane-1-sulfonamide (CID 22111601) is N,N-dibutyl-6-chlorohexane-1-sulfonamide.
What is the SMILES notation for N,N-dibutyl-6-chlorohexane-1-sulfonamide?
The canonical SMILES for N,N-dibutyl-6-chlorohexane-1-sulfonamide is CCCCN(CCCC)S(=O)(=O)CCCCCCCl.
What is the InChIKey of N,N-dibutyl-6-chlorohexane-1-sulfonamide?
The InChIKey is DIBNYZGONLDRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30ClNO2S/c1-3-5-12-16(13-6-4-2)19(17,18)14-10-8-7-9-11-15/h3-14H2,1-2H3.
What are the key properties of N,N-dibutyl-6-chlorohexane-1-sulfonamide?
N,N-dibutyl-6-chlorohexane-1-sulfonamide has a molecular weight of 311.92 g/mol, XLogP of 4.02, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-6-chlorohexane-1-sulfonamide is sourced from PubChem (CID 22111601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).