N-(2-chloropropyl)pyrrolidine-1-sulfonamide

C7H15ClN2O2S — CID 65033458

IUPACN-(2-chloropropyl)pyrrolidine-1-sulfonamide
SMILESCC(Cl)CNS(=O)(=O)N1CCCC1
InChIInChI=1S/C7H15ClN2O2S/c1-7(8)6-9-13(11,12)10-4-2-3-5-10/h7,9H,2-6H2,1H3
InChIKeyBKMXJWJSWLNASM-UHFFFAOYSA-N
MW226.73 g/mol
LogP0.54
Rot. Bonds4

About N-(2-chloropropyl)pyrrolidine-1-sulfonamide

N-(2-chloropropyl)pyrrolidine-1-sulfonamide (PubChem CID 65033458) has the molecular formula C7H15ClN2O2S and a molecular weight of 226.73 g/mol. Its IUPAC name is N-(2-chloropropyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-chloropropyl)pyrrolidine-1-sulfonamide
PubChem CID65033458
Molecular FormulaC7H15ClN2O2S
Molecular Weight226.73 g/mol
Exact Mass226.05
IUPAC NameN-(2-chloropropyl)pyrrolidine-1-sulfonamide
SMILESCC(Cl)CNS(=O)(=O)N1CCCC1
InChIInChI=1S/C7H15ClN2O2S/c1-7(8)6-9-13(11,12)10-4-2-3-5-10/h7,9H,2-6H2,1H3
InChIKeyBKMXJWJSWLNASM-UHFFFAOYSA-N
XLogP0.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.73
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-4-methylpentyl)piperidine-1-sulfonamide
CID 107158249
N-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-1-sulfonamide
CID 102912990
N-(4-chloro-2-methylbutyl)pyrrolidine-1-sulfonamide
CID 66090656
N-(3-amino-2-methylpropyl)pyrrolidine-1-sulfonamide
CID 62667987
N-[2-methyl-3-(methylamino)propyl]pyrrolidine-1-sulfonamide
CID 115302890
N-(2-chloro-2-cyclopropylethyl)azepane-1-sulfonamide
CID 65031845
N-(4-amino-2-methylbutyl)pyrrolidine-1-sulfonamide
CID 66090218
N-(4-hydroxy-2-methylbutyl)azepane-1-sulfonamide
CID 66107139
4-(azepan-1-ylsulfonylamino)-3-methylbutanoic acid
CID 81065684
N-(2,3-dihydroxypropyl)pyrrolidine-1-sulfonamide
CID 66176482
N-ethylazepane-1-sulfonamide
CID 43213421
N-(2-bromo-4,4-dimethylpentyl)pyrrolidine-1-sulfonamide
CID 107158123

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropropyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-(2-chloropropyl)pyrrolidine-1-sulfonamide (CID 65033458) is N-(2-chloropropyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(2-chloropropyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-(2-chloropropyl)pyrrolidine-1-sulfonamide is CC(Cl)CNS(=O)(=O)N1CCCC1.
What is the InChIKey of N-(2-chloropropyl)pyrrolidine-1-sulfonamide?
The InChIKey is BKMXJWJSWLNASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClN2O2S/c1-7(8)6-9-13(11,12)10-4-2-3-5-10/h7,9H,2-6H2,1H3.
What are the key properties of N-(2-chloropropyl)pyrrolidine-1-sulfonamide?
N-(2-chloropropyl)pyrrolidine-1-sulfonamide has a molecular weight of 226.73 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropropyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 65033458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).