2-chloro-N-cyclopropyl-N-(3-methylbutyl)ethanesulfonamide

C10H20ClNO2S — CID 79014657

IUPAC2-chloro-N-cyclopropyl-N-(3-methylbutyl)ethanesulfonamide
SMILESCC(C)CCN(C1CC1)S(=O)(=O)CCCl
InChIInChI=1S/C10H20ClNO2S/c1-9(2)5-7-12(10-3-4-10)15(13,14)8-6-11/h9-10H,3-8H2,1-2H3
InChIKeyBKDRQNKREJIJPO-UHFFFAOYSA-N
MW253.79 g/mol
LogP2.07
Rot. Bonds7

About 2-chloro-N-cyclopropyl-N-(3-methylbutyl)ethanesulfonamide

2-chloro-N-cyclopropyl-N-(3-methylbutyl)ethanesulfonamide (PubChem CID 79014657) has the molecular formula C10H20ClNO2S and a molecular weight of 253.79 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-N-(3-methylbutyl)ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-N-(3-methylbutyl)ethanesulfonamide
PubChem CID79014657
Molecular FormulaC10H20ClNO2S
Molecular Weight253.79 g/mol
Exact Mass253.09
IUPAC Name2-chloro-N-cyclopropyl-N-(3-methylbutyl)ethanesulfonamide
SMILESCC(C)CCN(C1CC1)S(=O)(=O)CCCl
InChIInChI=1S/C10H20ClNO2S/c1-9(2)5-7-12(10-3-4-10)15(13,14)8-6-11/h9-10H,3-8H2,1-2H3
InChIKeyBKDRQNKREJIJPO-UHFFFAOYSA-N
XLogP2.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.79
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-chloro-N-cyclopropyl-N-(3-methylbutyl)ethanesulfonamide?
The IUPAC name of 2-chloro-N-cyclopropyl-N-(3-methylbutyl)ethanesulfonamide (CID 79014657) is 2-chloro-N-cyclopropyl-N-(3-methylbutyl)ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-N-(3-methylbutyl)ethanesulfonamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-N-(3-methylbutyl)ethanesulfonamide is CC(C)CCN(C1CC1)S(=O)(=O)CCCl.
What is the InChIKey of 2-chloro-N-cyclopropyl-N-(3-methylbutyl)ethanesulfonamide?
The InChIKey is BKDRQNKREJIJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO2S/c1-9(2)5-7-12(10-3-4-10)15(13,14)8-6-11/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-chloro-N-cyclopropyl-N-(3-methylbutyl)ethanesulfonamide?
2-chloro-N-cyclopropyl-N-(3-methylbutyl)ethanesulfonamide has a molecular weight of 253.79 g/mol, XLogP of 2.07, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-N-(3-methylbutyl)ethanesulfonamide is sourced from PubChem (CID 79014657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).