3-chloro-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide

C13H24ClNO4S2 — CID 43654077

IUPAC3-chloro-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide
SMILESO=S1(=O)CCC(N(C2CCCCC2)S(=O)(=O)CCCCl)C1
InChIInChI=1S/C13H24ClNO4S2/c14-8-4-9-21(18,19)15(12-5-2-1-3-6-12)13-7-10-20(16,17)11-13/h12-13H,1-11H2
InChIKeyHISJFUAZEITWQG-UHFFFAOYSA-N
MW357.93 g/mol
LogP1.77
Rot. Bonds6

About 3-chloro-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide

3-chloro-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide (PubChem CID 43654077) has the molecular formula C13H24ClNO4S2 and a molecular weight of 357.93 g/mol. Its IUPAC name is 3-chloro-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide
PubChem CID43654077
Molecular FormulaC13H24ClNO4S2
Molecular Weight357.93 g/mol
Exact Mass357.08
IUPAC Name3-chloro-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide
SMILESO=S1(=O)CCC(N(C2CCCCC2)S(=O)(=O)CCCCl)C1
InChIInChI=1S/C13H24ClNO4S2/c14-8-4-9-21(18,19)15(12-5-2-1-3-6-12)13-7-10-20(16,17)11-13/h12-13H,1-11H2
InChIKeyHISJFUAZEITWQG-UHFFFAOYSA-N
XLogP1.77
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.93
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(Cyclohexylmethylamino)sulfonyl]thiolane-1,1-dione
CID 2939428
N-cyclohexyl-N-methyl-1,1-dioxo-1lambda~6~-thiolane-3-sulfonamide
CID 1307975
(3S)-N-cyclohexyl-N-methyl-1,1-dioxothiolane-3-sulfonamide
CID 7102173
3-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethylpropane-1-sulfonamide
CID 43654211
3-chloro-N-(1,1-dioxothiolan-3-yl)-N-methylpropane-1-sulfonamide
CID 43654243
N-butyl-3-chloro-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide
CID 54877490
N-(2-chloroethyl)-N-cyclohexyl-2-methylsulfonylethanesulfonamide
CID 55188208
N-(3-chloropropyl)-1,1-dioxo-N-propan-2-ylthiane-4-sulfonamide
CID 55188398
N-(6-chlorohexyl)-N-methyl-1,1-dioxothiolan-3-amine
CID 62228956
4-[2-(Chloromethyl)piperidin-1-yl]sulfonylthiane 1,1-dioxide
CID 63396650
N-(2-chloroethyl)-N-cyclohexyl-1,1-dioxothiane-4-sulfonamide
CID 63396728
N-(2-chloroethyl)-N-cyclopentyl-1,1-dioxothiane-4-sulfonamide
CID 63396983

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide (CID 43654077) is 3-chloro-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide is O=S1(=O)CCC(N(C2CCCCC2)S(=O)(=O)CCCCl)C1.
What is the InChIKey of 3-chloro-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide?
The InChIKey is HISJFUAZEITWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClNO4S2/c14-8-4-9-21(18,19)15(12-5-2-1-3-6-12)13-7-10-20(16,17)11-13/h12-13H,1-11H2.
What are the key properties of 3-chloro-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide?
3-chloro-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide has a molecular weight of 357.93 g/mol, XLogP of 1.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide is sourced from PubChem (CID 43654077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).