4-chloro-N,N-dimethylazepane-1-sulfonamide

C8H17ClN2O2S — CID 131107442

IUPAC4-chloro-N,N-dimethylazepane-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCCC(Cl)CC1
InChIInChI=1S/C8H17ClN2O2S/c1-10(2)14(12,13)11-6-3-4-8(9)5-7-11/h8H,3-7H2,1-2H3
InChIKeyKPNGKJMYZDKTGW-UHFFFAOYSA-N
MW240.76 g/mol
LogP0.89
Rot. Bonds2

About 4-chloro-N,N-dimethylazepane-1-sulfonamide

4-chloro-N,N-dimethylazepane-1-sulfonamide (PubChem CID 131107442) has the molecular formula C8H17ClN2O2S and a molecular weight of 240.76 g/mol. Its IUPAC name is 4-chloro-N,N-dimethylazepane-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-N,N-dimethylazepane-1-sulfonamide
PubChem CID131107442
Molecular FormulaC8H17ClN2O2S
Molecular Weight240.76 g/mol
Exact Mass240.07
IUPAC Name4-chloro-N,N-dimethylazepane-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCCC(Cl)CC1
InChIInChI=1S/C8H17ClN2O2S/c1-10(2)14(12,13)11-6-3-4-8(9)5-7-11/h8H,3-7H2,1-2H3
InChIKeyKPNGKJMYZDKTGW-UHFFFAOYSA-N
XLogP0.89
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.76
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-(dimethylsulfamoyl)-N,N-dimethylpiperidine-3-carboxamide
CID 92684694
3-formyl-N,N-dimethylpiperidine-1-sulfonamide
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(3R)-1-(dimethylsulfamoyl)-N-methylpiperidine-3-carboxamide
CID 94012254
(3S)-1-(dimethylsulfamoyl)-N,N-diethylpiperidine-3-carboxamide
CID 92685694
4-(cyclopropanecarbonyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 60738795
N,N-dimethyl-4-piperidin-4-ylpiperidine-1-sulfonamide
CID 25219516
[1-(dimethylsulfamoyl)piperidin-4-yl]carbamic acid
CID 66819444
(3R)-N-cyclopentyl-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 92686253
N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]cyclobutanecarboxamide
CID 131893952
(3S)-N,N-dimethyl-3-(4-methylpiperidine-1-carbonyl)piperidine-1-sulfonamide
CID 94013163
N,N-dimethyl-4-(methylsulfonylmethyl)piperidine-1-sulfonamide
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4-(2-ethylpiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide
CID 113005798

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dimethylazepane-1-sulfonamide?
The IUPAC name of 4-chloro-N,N-dimethylazepane-1-sulfonamide (CID 131107442) is 4-chloro-N,N-dimethylazepane-1-sulfonamide.
What is the SMILES notation for 4-chloro-N,N-dimethylazepane-1-sulfonamide?
The canonical SMILES for 4-chloro-N,N-dimethylazepane-1-sulfonamide is CN(C)S(=O)(=O)N1CCCC(Cl)CC1.
What is the InChIKey of 4-chloro-N,N-dimethylazepane-1-sulfonamide?
The InChIKey is KPNGKJMYZDKTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClN2O2S/c1-10(2)14(12,13)11-6-3-4-8(9)5-7-11/h8H,3-7H2,1-2H3.
What are the key properties of 4-chloro-N,N-dimethylazepane-1-sulfonamide?
4-chloro-N,N-dimethylazepane-1-sulfonamide has a molecular weight of 240.76 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dimethylazepane-1-sulfonamide is sourced from PubChem (CID 131107442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).