N-(2-chloro-2-cyclopropylethyl)-2-methylsulfonylethanesulfonamide

C8H16ClNO4S2 — CID 65031456

IUPACN-(2-chloro-2-cyclopropylethyl)-2-methylsulfonylethanesulfonamide
SMILESCS(=O)(=O)CCS(=O)(=O)NCC(Cl)C1CC1
InChIInChI=1S/C8H16ClNO4S2/c1-15(11,12)4-5-16(13,14)10-6-8(9)7-2-3-7/h7-8,10H,2-6H2,1H3
InChIKeyFZNFZANTYGWRPJ-UHFFFAOYSA-N
MW289.81 g/mol
LogP-0.03
Rot. Bonds7

About N-(2-chloro-2-cyclopropylethyl)-2-methylsulfonylethanesulfonamide

N-(2-chloro-2-cyclopropylethyl)-2-methylsulfonylethanesulfonamide (PubChem CID 65031456) has the molecular formula C8H16ClNO4S2 and a molecular weight of 289.81 g/mol. Its IUPAC name is N-(2-chloro-2-cyclopropylethyl)-2-methylsulfonylethanesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-2-cyclopropylethyl)-2-methylsulfonylethanesulfonamide
PubChem CID65031456
Molecular FormulaC8H16ClNO4S2
Molecular Weight289.81 g/mol
Exact Mass289.02
IUPAC NameN-(2-chloro-2-cyclopropylethyl)-2-methylsulfonylethanesulfonamide
SMILESCS(=O)(=O)CCS(=O)(=O)NCC(Cl)C1CC1
InChIInChI=1S/C8H16ClNO4S2/c1-15(11,12)4-5-16(13,14)10-6-8(9)7-2-3-7/h7-8,10H,2-6H2,1H3
InChIKeyFZNFZANTYGWRPJ-UHFFFAOYSA-N
XLogP-0.03
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
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 N-(2-chloro-2-cyclopropylethyl)-2-methylsulfonylethanesulfonamide?
The IUPAC name of N-(2-chloro-2-cyclopropylethyl)-2-methylsulfonylethanesulfonamide (CID 65031456) is N-(2-chloro-2-cyclopropylethyl)-2-methylsulfonylethanesulfonamide.
What is the SMILES notation for N-(2-chloro-2-cyclopropylethyl)-2-methylsulfonylethanesulfonamide?
The canonical SMILES for N-(2-chloro-2-cyclopropylethyl)-2-methylsulfonylethanesulfonamide is CS(=O)(=O)CCS(=O)(=O)NCC(Cl)C1CC1.
What is the InChIKey of N-(2-chloro-2-cyclopropylethyl)-2-methylsulfonylethanesulfonamide?
The InChIKey is FZNFZANTYGWRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO4S2/c1-15(11,12)4-5-16(13,14)10-6-8(9)7-2-3-7/h7-8,10H,2-6H2,1H3.
What are the key properties of N-(2-chloro-2-cyclopropylethyl)-2-methylsulfonylethanesulfonamide?
N-(2-chloro-2-cyclopropylethyl)-2-methylsulfonylethanesulfonamide has a molecular weight of 289.81 g/mol, XLogP of -0.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2-cyclopropylethyl)-2-methylsulfonylethanesulfonamide is sourced from PubChem (CID 65031456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).