3-chloro-N-(2-cyclopropylethyl)-2-methylpropane-1-sulfonamide

C9H18ClNO2S — CID 79588548

IUPAC3-chloro-N-(2-cyclopropylethyl)-2-methylpropane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)NCCC1CC1
InChIInChI=1S/C9H18ClNO2S/c1-8(6-10)7-14(12,13)11-5-4-9-2-3-9/h8-9,11H,2-7H2,1H3
InChIKeyBVQPUPLLRMMYGH-UHFFFAOYSA-N
MW239.77 g/mol
LogP1.58
Rot. Bonds7

About 3-chloro-N-(2-cyclopropylethyl)-2-methylpropane-1-sulfonamide

3-chloro-N-(2-cyclopropylethyl)-2-methylpropane-1-sulfonamide (PubChem CID 79588548) has the molecular formula C9H18ClNO2S and a molecular weight of 239.77 g/mol. Its IUPAC name is 3-chloro-N-(2-cyclopropylethyl)-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2-cyclopropylethyl)-2-methylpropane-1-sulfonamide
PubChem CID79588548
Molecular FormulaC9H18ClNO2S
Molecular Weight239.77 g/mol
Exact Mass239.07
IUPAC Name3-chloro-N-(2-cyclopropylethyl)-2-methylpropane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)NCCC1CC1
InChIInChI=1S/C9H18ClNO2S/c1-8(6-10)7-14(12,13)11-5-4-9-2-3-9/h8-9,11H,2-7H2,1H3
InChIKeyBVQPUPLLRMMYGH-UHFFFAOYSA-N
XLogP1.58
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.77
LogP ≤ 51.58
H-Bond Donors ≤ 51
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 3-chloro-N-(2-cyclopropylethyl)-2-methylpropane-1-sulfonamide?
The IUPAC name of 3-chloro-N-(2-cyclopropylethyl)-2-methylpropane-1-sulfonamide (CID 79588548) is 3-chloro-N-(2-cyclopropylethyl)-2-methylpropane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-(2-cyclopropylethyl)-2-methylpropane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-(2-cyclopropylethyl)-2-methylpropane-1-sulfonamide is CC(CCl)CS(=O)(=O)NCCC1CC1.
What is the InChIKey of 3-chloro-N-(2-cyclopropylethyl)-2-methylpropane-1-sulfonamide?
The InChIKey is BVQPUPLLRMMYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO2S/c1-8(6-10)7-14(12,13)11-5-4-9-2-3-9/h8-9,11H,2-7H2,1H3.
What are the key properties of 3-chloro-N-(2-cyclopropylethyl)-2-methylpropane-1-sulfonamide?
3-chloro-N-(2-cyclopropylethyl)-2-methylpropane-1-sulfonamide has a molecular weight of 239.77 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-cyclopropylethyl)-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 79588548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).