1-chloro-N-methyl-N-(2-methylsulfonylethyl)propane-2-sulfonamide

C7H16ClNO4S2 — CID 79859271

IUPAC1-chloro-N-methyl-N-(2-methylsulfonylethyl)propane-2-sulfonamide
SMILESCC(CCl)S(=O)(=O)N(C)CCS(C)(=O)=O
InChIInChI=1S/C7H16ClNO4S2/c1-7(6-8)15(12,13)9(2)4-5-14(3,10)11/h7H,4-6H2,1-3H3
InChIKeyKKTLJHRSANZDPL-UHFFFAOYSA-N
MW277.80 g/mol
LogP-0.08
Rot. Bonds6

About 1-chloro-N-methyl-N-(2-methylsulfonylethyl)propane-2-sulfonamide

1-chloro-N-methyl-N-(2-methylsulfonylethyl)propane-2-sulfonamide (PubChem CID 79859271) has the molecular formula C7H16ClNO4S2 and a molecular weight of 277.80 g/mol. Its IUPAC name is 1-chloro-N-methyl-N-(2-methylsulfonylethyl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-chloro-N-methyl-N-(2-methylsulfonylethyl)propane-2-sulfonamide
PubChem CID79859271
Molecular FormulaC7H16ClNO4S2
Molecular Weight277.80 g/mol
Exact Mass277.02
IUPAC Name1-chloro-N-methyl-N-(2-methylsulfonylethyl)propane-2-sulfonamide
SMILESCC(CCl)S(=O)(=O)N(C)CCS(C)(=O)=O
InChIInChI=1S/C7H16ClNO4S2/c1-7(6-8)15(12,13)9(2)4-5-14(3,10)11/h7H,4-6H2,1-3H3
InChIKeyKKTLJHRSANZDPL-UHFFFAOYSA-N
XLogP-0.08
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-methyl-N-(2-methylsulfonylethyl)propane-2-sulfonamide?
The IUPAC name of 1-chloro-N-methyl-N-(2-methylsulfonylethyl)propane-2-sulfonamide (CID 79859271) is 1-chloro-N-methyl-N-(2-methylsulfonylethyl)propane-2-sulfonamide.
What is the SMILES notation for 1-chloro-N-methyl-N-(2-methylsulfonylethyl)propane-2-sulfonamide?
The canonical SMILES for 1-chloro-N-methyl-N-(2-methylsulfonylethyl)propane-2-sulfonamide is CC(CCl)S(=O)(=O)N(C)CCS(C)(=O)=O.
What is the InChIKey of 1-chloro-N-methyl-N-(2-methylsulfonylethyl)propane-2-sulfonamide?
The InChIKey is KKTLJHRSANZDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16ClNO4S2/c1-7(6-8)15(12,13)9(2)4-5-14(3,10)11/h7H,4-6H2,1-3H3.
What are the key properties of 1-chloro-N-methyl-N-(2-methylsulfonylethyl)propane-2-sulfonamide?
1-chloro-N-methyl-N-(2-methylsulfonylethyl)propane-2-sulfonamide has a molecular weight of 277.80 g/mol, XLogP of -0.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-methyl-N-(2-methylsulfonylethyl)propane-2-sulfonamide is sourced from PubChem (CID 79859271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).