5-chloro-N,N-dimethylpentane-1-sulfonamide

C7H16ClNO2S — CID 22111531

IUPAC5-chloro-N,N-dimethylpentane-1-sulfonamide
SMILESCN(C)S(=O)(=O)CCCCCCl
InChIInChI=1S/C7H16ClNO2S/c1-9(2)12(10,11)7-5-3-4-6-8/h3-7H2,1-2H3
InChIKeyUHBNFYLJLBJDLV-UHFFFAOYSA-N
MW213.73 g/mol
LogP1.29
Rot. Bonds6

About 5-chloro-N,N-dimethylpentane-1-sulfonamide

5-chloro-N,N-dimethylpentane-1-sulfonamide (PubChem CID 22111531) has the molecular formula C7H16ClNO2S and a molecular weight of 213.73 g/mol. Its IUPAC name is 5-chloro-N,N-dimethylpentane-1-sulfonamide.

Molecular Properties

Compound Name5-chloro-N,N-dimethylpentane-1-sulfonamide
PubChem CID22111531
Molecular FormulaC7H16ClNO2S
Molecular Weight213.73 g/mol
Exact Mass213.06
IUPAC Name5-chloro-N,N-dimethylpentane-1-sulfonamide
SMILESCN(C)S(=O)(=O)CCCCCCl
InChIInChI=1S/C7H16ClNO2S/c1-9(2)12(10,11)7-5-3-4-6-8/h3-7H2,1-2H3
InChIKeyUHBNFYLJLBJDLV-UHFFFAOYSA-N
XLogP1.29
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.73
LogP ≤ 51.29
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

3-chloro-N,N-dimethylpropane-1-sulfonamide
CID 10035328
3-chloro-N-methylhexane-1-sulfonamide
CID 13468216
3-chloro-N,N-diethylpropane-1-sulfonamide
CID 10262652
4-chloro-N,N-dimethylbutane-1-sulfonamide
CID 12589226
7-chloro-N,N-dimethylheptane-1-sulfonamide
CID 17794238
N-butyl-5-chloro-N-methyl-pentanesulfonamide
CID 19711033
N,N-diethyl-6-chlorohexanesulfonamide
CID 22111559
6-chloro-N-methylhexane-1-sulfonamide
CID 22111562
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 5-chloro-N,N-dimethylpentane-1-sulfonamide?
The IUPAC name of 5-chloro-N,N-dimethylpentane-1-sulfonamide (CID 22111531) is 5-chloro-N,N-dimethylpentane-1-sulfonamide.
What is the SMILES notation for 5-chloro-N,N-dimethylpentane-1-sulfonamide?
The canonical SMILES for 5-chloro-N,N-dimethylpentane-1-sulfonamide is CN(C)S(=O)(=O)CCCCCCl.
What is the InChIKey of 5-chloro-N,N-dimethylpentane-1-sulfonamide?
The InChIKey is UHBNFYLJLBJDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16ClNO2S/c1-9(2)12(10,11)7-5-3-4-6-8/h3-7H2,1-2H3.
What are the key properties of 5-chloro-N,N-dimethylpentane-1-sulfonamide?
5-chloro-N,N-dimethylpentane-1-sulfonamide has a molecular weight of 213.73 g/mol, XLogP of 1.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,N-dimethylpentane-1-sulfonamide is sourced from PubChem (CID 22111531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).