N-(2-chloroethyl)-N-cyclopropylpropane-2-sulfonamide

C8H16ClNO2S — CID 63397229

IUPACN-(2-chloroethyl)-N-cyclopropylpropane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N(CCCl)C1CC1
InChIInChI=1S/C8H16ClNO2S/c1-7(2)13(11,12)10(6-5-9)8-3-4-8/h7-8H,3-6H2,1-2H3
InChIKeyPTCBJOWKBJJFLG-UHFFFAOYSA-N
MW225.74 g/mol
LogP1.43
Rot. Bonds5

About N-(2-chloroethyl)-N-cyclopropylpropane-2-sulfonamide

N-(2-chloroethyl)-N-cyclopropylpropane-2-sulfonamide (PubChem CID 63397229) has the molecular formula C8H16ClNO2S and a molecular weight of 225.74 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclopropylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclopropylpropane-2-sulfonamide
PubChem CID63397229
Molecular FormulaC8H16ClNO2S
Molecular Weight225.74 g/mol
Exact Mass225.06
IUPAC NameN-(2-chloroethyl)-N-cyclopropylpropane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N(CCCl)C1CC1
InChIInChI=1S/C8H16ClNO2S/c1-7(2)13(11,12)10(6-5-9)8-3-4-8/h7-8H,3-6H2,1-2H3
InChIKeyPTCBJOWKBJJFLG-UHFFFAOYSA-N
XLogP1.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.74
LogP ≤ 51.43
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 N-(2-chloroethyl)-N-cyclopropylpropane-2-sulfonamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclopropylpropane-2-sulfonamide (CID 63397229) is N-(2-chloroethyl)-N-cyclopropylpropane-2-sulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclopropylpropane-2-sulfonamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclopropylpropane-2-sulfonamide is CC(C)S(=O)(=O)N(CCCl)C1CC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclopropylpropane-2-sulfonamide?
The InChIKey is PTCBJOWKBJJFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO2S/c1-7(2)13(11,12)10(6-5-9)8-3-4-8/h7-8H,3-6H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N-cyclopropylpropane-2-sulfonamide?
N-(2-chloroethyl)-N-cyclopropylpropane-2-sulfonamide has a molecular weight of 225.74 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclopropylpropane-2-sulfonamide is sourced from PubChem (CID 63397229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).