N-(2-chloroethyl)-N-cyclohexylpyrrolidine-1-sulfonamide

C12H23ClN2O2S — CID 63396430

IUPACN-(2-chloroethyl)-N-cyclohexylpyrrolidine-1-sulfonamide
SMILESO=S(=O)(N1CCCC1)N(CCCl)C1CCCCC1
InChIInChI=1S/C12H23ClN2O2S/c13-8-11-15(12-6-2-1-3-7-12)18(16,17)14-9-4-5-10-14/h12H,1-11H2
InChIKeyXLHVRIGMEVSDPL-UHFFFAOYSA-N
MW294.85 g/mol
LogP2.20
Rot. Bonds5

About N-(2-chloroethyl)-N-cyclohexylpyrrolidine-1-sulfonamide

N-(2-chloroethyl)-N-cyclohexylpyrrolidine-1-sulfonamide (PubChem CID 63396430) has the molecular formula C12H23ClN2O2S and a molecular weight of 294.85 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclohexylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclohexylpyrrolidine-1-sulfonamide
PubChem CID63396430
Molecular FormulaC12H23ClN2O2S
Molecular Weight294.85 g/mol
Exact Mass294.12
IUPAC NameN-(2-chloroethyl)-N-cyclohexylpyrrolidine-1-sulfonamide
SMILESO=S(=O)(N1CCCC1)N(CCCl)C1CCCCC1
InChIInChI=1S/C12H23ClN2O2S/c13-8-11-15(12-6-2-1-3-7-12)18(16,17)14-9-4-5-10-14/h12H,1-11H2
InChIKeyXLHVRIGMEVSDPL-UHFFFAOYSA-N
XLogP2.20
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.85
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-N-cyclohexylazepane-1-sulfonamide
CID 63396474
N-(3-chloropropyl)-N-cyclobutylpiperidine-1-sulfonamide
CID 102873428
N-(2-chloroethyl)-N-cyclopentyl-4-methylpiperidine-1-sulfonamide
CID 63396683
N-(2-aminoethyl)-N-cyclopentylpyrrolidine-1-sulfonamide
CID 63766567
N-(2-bromoethyl)-N-cyclobutylpyrrolidine-1-sulfonamide
CID 102873540
3-[cyclopropyl(piperidin-1-ylsulfonyl)amino]propanoic acid
CID 60830000
N-(3-aminopropyl)-N-cyclopropylpyrrolidine-1-sulfonamide
CID 43136983
2-[cyclopentyl(pyrrolidin-1-ylsulfonyl)amino]acetic acid
CID 54925873
N-(2-chloroethyl)-N-cyclohexylmethanesulfonamide
CID 63396860
N-(2-aminoethyl)-N-cyclohexylmorpholine-4-sulfonamide
CID 63765615
N-(2-bromoethyl)-N-cyclohexyl-4-methylpiperidine-1-sulfonamide
CID 80669420
2-[cyclopentyl(piperidin-1-ylsulfonyl)amino]-N'-hydroxyethanimidamide
CID 77044834

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclohexylpyrrolidine-1-sulfonamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclohexylpyrrolidine-1-sulfonamide (CID 63396430) is N-(2-chloroethyl)-N-cyclohexylpyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclohexylpyrrolidine-1-sulfonamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclohexylpyrrolidine-1-sulfonamide is O=S(=O)(N1CCCC1)N(CCCl)C1CCCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclohexylpyrrolidine-1-sulfonamide?
The InChIKey is XLHVRIGMEVSDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23ClN2O2S/c13-8-11-15(12-6-2-1-3-7-12)18(16,17)14-9-4-5-10-14/h12H,1-11H2.
What are the key properties of N-(2-chloroethyl)-N-cyclohexylpyrrolidine-1-sulfonamide?
N-(2-chloroethyl)-N-cyclohexylpyrrolidine-1-sulfonamide has a molecular weight of 294.85 g/mol, XLogP of 2.20, 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-cyclohexylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 63396430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).