N-(1-chloropropan-2-yl)-1,1-dioxothiane-4-sulfonamide

C8H16ClNO4S2 — CID 65030762

IUPACN-(1-chloropropan-2-yl)-1,1-dioxothiane-4-sulfonamide
SMILESCC(CCl)NS(=O)(=O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C8H16ClNO4S2/c1-7(6-9)10-16(13,14)8-2-4-15(11,12)5-3-8/h7-8,10H,2-6H2,1H3
InChIKeyCJEBSZPYZLFUIC-UHFFFAOYSA-N
MW289.81 g/mol
LogP0.11
Rot. Bonds4

About N-(1-chloropropan-2-yl)-1,1-dioxothiane-4-sulfonamide

N-(1-chloropropan-2-yl)-1,1-dioxothiane-4-sulfonamide (PubChem CID 65030762) has the molecular formula C8H16ClNO4S2 and a molecular weight of 289.81 g/mol. Its IUPAC name is N-(1-chloropropan-2-yl)-1,1-dioxothiane-4-sulfonamide.

Molecular Properties

Compound NameN-(1-chloropropan-2-yl)-1,1-dioxothiane-4-sulfonamide
PubChem CID65030762
Molecular FormulaC8H16ClNO4S2
Molecular Weight289.81 g/mol
Exact Mass289.02
IUPAC NameN-(1-chloropropan-2-yl)-1,1-dioxothiane-4-sulfonamide
SMILESCC(CCl)NS(=O)(=O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C8H16ClNO4S2/c1-7(6-9)10-16(13,14)8-2-4-15(11,12)5-3-8/h7-8,10H,2-6H2,1H3
InChIKeyCJEBSZPYZLFUIC-UHFFFAOYSA-N
XLogP0.11
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1,1-dioxothian-4-yl)propane-2-sulfonamide
CID 64586481
3-chloro-N-(1,1-dioxothian-4-yl)propane-1-sulfonamide
CID 43653906
N-(3-chloropropyl)-1,1-dioxo-N-propan-2-ylthiane-4-sulfonamide
CID 55188398
3-chloro-N-(3-methylsulfonylpropyl)propane-1-sulfonamide
CID 61037622
N-(3-chloropropyl)-1,1-dioxothiane-4-sulfonamide
CID 62084949
N-(2-chloroethyl)-1,1-dioxothiane-4-sulfonamide
CID 62084950
N-butan-2-yl-1,1-dioxothiane-4-sulfonamide
CID 62735179
1-chloro-N-(1,1-dioxothian-4-yl)methanesulfonamide
CID 63664869
1-chloro-N-(1,1-dioxothian-3-yl)methanesulfonamide
CID 63923007
3-chloro-N-(1,1-dioxothian-3-yl)propane-1-sulfonamide
CID 63923008
N-(1,1-dioxothian-3-yl)propane-1-sulfonamide
CID 64197302
1,1-dioxo-N-propan-2-ylthiane-4-sulfonamide
CID 64295570

Frequently Asked Questions

What is the IUPAC name of N-(1-chloropropan-2-yl)-1,1-dioxothiane-4-sulfonamide?
The IUPAC name of N-(1-chloropropan-2-yl)-1,1-dioxothiane-4-sulfonamide (CID 65030762) is N-(1-chloropropan-2-yl)-1,1-dioxothiane-4-sulfonamide.
What is the SMILES notation for N-(1-chloropropan-2-yl)-1,1-dioxothiane-4-sulfonamide?
The canonical SMILES for N-(1-chloropropan-2-yl)-1,1-dioxothiane-4-sulfonamide is CC(CCl)NS(=O)(=O)C1CCS(=O)(=O)CC1.
What is the InChIKey of N-(1-chloropropan-2-yl)-1,1-dioxothiane-4-sulfonamide?
The InChIKey is CJEBSZPYZLFUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO4S2/c1-7(6-9)10-16(13,14)8-2-4-15(11,12)5-3-8/h7-8,10H,2-6H2,1H3.
What are the key properties of N-(1-chloropropan-2-yl)-1,1-dioxothiane-4-sulfonamide?
N-(1-chloropropan-2-yl)-1,1-dioxothiane-4-sulfonamide has a molecular weight of 289.81 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloropropan-2-yl)-1,1-dioxothiane-4-sulfonamide is sourced from PubChem (CID 65030762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).