N-(2-chloroethyl)-N-cyclopropyloxane-4-sulfonamide

C10H18ClNO3S — CID 63397735

IUPACN-(2-chloroethyl)-N-cyclopropyloxane-4-sulfonamide
SMILESO=S(=O)(C1CCOCC1)N(CCCl)C1CC1
InChIInChI=1S/C10H18ClNO3S/c11-5-6-12(9-1-2-9)16(13,14)10-3-7-15-8-4-10/h9-10H,1-8H2
InChIKeyGIVNVRKNXQGMEF-UHFFFAOYSA-N
MW267.78 g/mol
LogP1.20
Rot. Bonds5

About N-(2-chloroethyl)-N-cyclopropyloxane-4-sulfonamide

N-(2-chloroethyl)-N-cyclopropyloxane-4-sulfonamide (PubChem CID 63397735) has the molecular formula C10H18ClNO3S and a molecular weight of 267.78 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclopropyloxane-4-sulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclopropyloxane-4-sulfonamide
PubChem CID63397735
Molecular FormulaC10H18ClNO3S
Molecular Weight267.78 g/mol
Exact Mass267.07
IUPAC NameN-(2-chloroethyl)-N-cyclopropyloxane-4-sulfonamide
SMILESO=S(=O)(C1CCOCC1)N(CCCl)C1CC1
InChIInChI=1S/C10H18ClNO3S/c11-5-6-12(9-1-2-9)16(13,14)10-3-7-15-8-4-10/h9-10H,1-8H2
InChIKeyGIVNVRKNXQGMEF-UHFFFAOYSA-N
XLogP1.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 51.20
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-(2-chloroethyl)-N-cyclopropyloxane-4-sulfonamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclopropyloxane-4-sulfonamide (CID 63397735) is N-(2-chloroethyl)-N-cyclopropyloxane-4-sulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclopropyloxane-4-sulfonamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclopropyloxane-4-sulfonamide is O=S(=O)(C1CCOCC1)N(CCCl)C1CC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclopropyloxane-4-sulfonamide?
The InChIKey is GIVNVRKNXQGMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO3S/c11-5-6-12(9-1-2-9)16(13,14)10-3-7-15-8-4-10/h9-10H,1-8H2.
What are the key properties of N-(2-chloroethyl)-N-cyclopropyloxane-4-sulfonamide?
N-(2-chloroethyl)-N-cyclopropyloxane-4-sulfonamide has a molecular weight of 267.78 g/mol, XLogP of 1.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclopropyloxane-4-sulfonamide is sourced from PubChem (CID 63397735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).