N-butan-2-yl-1-chloro-N-(2-methoxyethyl)methanesulfonamide

C8H18ClNO3S — CID 63665191

IUPACN-butan-2-yl-1-chloro-N-(2-methoxyethyl)methanesulfonamide
SMILESCCC(C)N(CCOC)S(=O)(=O)CCl
InChIInChI=1S/C8H18ClNO3S/c1-4-8(2)10(5-6-13-3)14(11,12)7-9/h8H,4-7H2,1-3H3
InChIKeyPUIYNEYSMOBDIB-UHFFFAOYSA-N
MW243.76 g/mol
LogP1.26
Rot. Bonds7

About N-butan-2-yl-1-chloro-N-(2-methoxyethyl)methanesulfonamide

N-butan-2-yl-1-chloro-N-(2-methoxyethyl)methanesulfonamide (PubChem CID 63665191) has the molecular formula C8H18ClNO3S and a molecular weight of 243.76 g/mol. Its IUPAC name is N-butan-2-yl-1-chloro-N-(2-methoxyethyl)methanesulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-1-chloro-N-(2-methoxyethyl)methanesulfonamide
PubChem CID63665191
Molecular FormulaC8H18ClNO3S
Molecular Weight243.76 g/mol
Exact Mass243.07
IUPAC NameN-butan-2-yl-1-chloro-N-(2-methoxyethyl)methanesulfonamide
SMILESCCC(C)N(CCOC)S(=O)(=O)CCl
InChIInChI=1S/C8H18ClNO3S/c1-4-8(2)10(5-6-13-3)14(11,12)7-9/h8H,4-7H2,1-3H3
InChIKeyPUIYNEYSMOBDIB-UHFFFAOYSA-N
XLogP1.26
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-butan-2-yl-1-chloro-N-(2-methoxyethyl)methanesulfonamide?
The IUPAC name of N-butan-2-yl-1-chloro-N-(2-methoxyethyl)methanesulfonamide (CID 63665191) is N-butan-2-yl-1-chloro-N-(2-methoxyethyl)methanesulfonamide.
What is the SMILES notation for N-butan-2-yl-1-chloro-N-(2-methoxyethyl)methanesulfonamide?
The canonical SMILES for N-butan-2-yl-1-chloro-N-(2-methoxyethyl)methanesulfonamide is CCC(C)N(CCOC)S(=O)(=O)CCl.
What is the InChIKey of N-butan-2-yl-1-chloro-N-(2-methoxyethyl)methanesulfonamide?
The InChIKey is PUIYNEYSMOBDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18ClNO3S/c1-4-8(2)10(5-6-13-3)14(11,12)7-9/h8H,4-7H2,1-3H3.
What are the key properties of N-butan-2-yl-1-chloro-N-(2-methoxyethyl)methanesulfonamide?
N-butan-2-yl-1-chloro-N-(2-methoxyethyl)methanesulfonamide has a molecular weight of 243.76 g/mol, XLogP of 1.26, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-chloro-N-(2-methoxyethyl)methanesulfonamide is sourced from PubChem (CID 63665191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).