N-(3-chloropropyl)-2-ethoxy-N-propan-2-ylethanesulfonamide

C10H22ClNO3S — CID 63396420

IUPACN-(3-chloropropyl)-2-ethoxy-N-propan-2-ylethanesulfonamide
SMILESCCOCCS(=O)(=O)N(CCCCl)C(C)C
InChIInChI=1S/C10H22ClNO3S/c1-4-15-8-9-16(13,14)12(10(2)3)7-5-6-11/h10H,4-9H2,1-3H3
InChIKeyFZVHVERQWLNOMH-UHFFFAOYSA-N
MW271.81 g/mol
LogP1.69
Rot. Bonds9

About N-(3-chloropropyl)-2-ethoxy-N-propan-2-ylethanesulfonamide

N-(3-chloropropyl)-2-ethoxy-N-propan-2-ylethanesulfonamide (PubChem CID 63396420) has the molecular formula C10H22ClNO3S and a molecular weight of 271.81 g/mol. Its IUPAC name is N-(3-chloropropyl)-2-ethoxy-N-propan-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-2-ethoxy-N-propan-2-ylethanesulfonamide
PubChem CID63396420
Molecular FormulaC10H22ClNO3S
Molecular Weight271.81 g/mol
Exact Mass271.10
IUPAC NameN-(3-chloropropyl)-2-ethoxy-N-propan-2-ylethanesulfonamide
SMILESCCOCCS(=O)(=O)N(CCCCl)C(C)C
InChIInChI=1S/C10H22ClNO3S/c1-4-15-8-9-16(13,14)12(10(2)3)7-5-6-11/h10H,4-9H2,1-3H3
InChIKeyFZVHVERQWLNOMH-UHFFFAOYSA-N
XLogP1.69
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.81
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-2-ethoxy-N-propan-2-ylethanesulfonamide?
The IUPAC name of N-(3-chloropropyl)-2-ethoxy-N-propan-2-ylethanesulfonamide (CID 63396420) is N-(3-chloropropyl)-2-ethoxy-N-propan-2-ylethanesulfonamide.
What is the SMILES notation for N-(3-chloropropyl)-2-ethoxy-N-propan-2-ylethanesulfonamide?
The canonical SMILES for N-(3-chloropropyl)-2-ethoxy-N-propan-2-ylethanesulfonamide is CCOCCS(=O)(=O)N(CCCCl)C(C)C.
What is the InChIKey of N-(3-chloropropyl)-2-ethoxy-N-propan-2-ylethanesulfonamide?
The InChIKey is FZVHVERQWLNOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22ClNO3S/c1-4-15-8-9-16(13,14)12(10(2)3)7-5-6-11/h10H,4-9H2,1-3H3.
What are the key properties of N-(3-chloropropyl)-2-ethoxy-N-propan-2-ylethanesulfonamide?
N-(3-chloropropyl)-2-ethoxy-N-propan-2-ylethanesulfonamide has a molecular weight of 271.81 g/mol, XLogP of 1.69, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-2-ethoxy-N-propan-2-ylethanesulfonamide is sourced from PubChem (CID 63396420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).