N-(4-chloro-2-methylbutyl)pyrrolidine-1-sulfonamide

C9H19ClN2O2S — CID 66090656

IUPACN-(4-chloro-2-methylbutyl)pyrrolidine-1-sulfonamide
SMILESCC(CCCl)CNS(=O)(=O)N1CCCC1
InChIInChI=1S/C9H19ClN2O2S/c1-9(4-5-10)8-11-15(13,14)12-6-2-3-7-12/h9,11H,2-8H2,1H3
InChIKeyCIVZTUYCQFFOCT-UHFFFAOYSA-N
MW254.78 g/mol
LogP1.18
Rot. Bonds6

About N-(4-chloro-2-methylbutyl)pyrrolidine-1-sulfonamide

N-(4-chloro-2-methylbutyl)pyrrolidine-1-sulfonamide (PubChem CID 66090656) has the molecular formula C9H19ClN2O2S and a molecular weight of 254.78 g/mol. Its IUPAC name is N-(4-chloro-2-methylbutyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylbutyl)pyrrolidine-1-sulfonamide
PubChem CID66090656
Molecular FormulaC9H19ClN2O2S
Molecular Weight254.78 g/mol
Exact Mass254.09
IUPAC NameN-(4-chloro-2-methylbutyl)pyrrolidine-1-sulfonamide
SMILESCC(CCCl)CNS(=O)(=O)N1CCCC1
InChIInChI=1S/C9H19ClN2O2S/c1-9(4-5-10)8-11-15(13,14)12-6-2-3-7-12/h9,11H,2-8H2,1H3
InChIKeyCIVZTUYCQFFOCT-UHFFFAOYSA-N
XLogP1.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.78
LogP ≤ 51.18
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-(4-amino-2-methylbutyl)pyrrolidine-1-sulfonamide
CID 66090218
N-(4-hydroxy-2-methylbutyl)azepane-1-sulfonamide
CID 66107139
N-(2-chloropropyl)pyrrolidine-1-sulfonamide
CID 65033458
N-(3-amino-2-methylpropyl)pyrrolidine-1-sulfonamide
CID 62667987
N-[2-methyl-3-(methylamino)propyl]pyrrolidine-1-sulfonamide
CID 115302890
N-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-1-sulfonamide
CID 102912990
4-(azepan-1-ylsulfonylamino)-3-methylbutanoic acid
CID 81065684
N-(3-chloro-2-methylpropyl)-3-methylpiperidine-1-sulfonamide
CID 65036779
N-(2-chloro-4-methylpentyl)piperidine-1-sulfonamide
CID 107158249
N-(4-chloro-2-methylbutyl)cyclopentanesulfonamide
CID 105361729
1-[(4-hydroxy-2-methylbutyl)sulfamoyl]piperidine-3-carboxylic acid
CID 66091534
N-(4-chloro-2,2-dimethylbutyl)azepane-1-sulfonamide
CID 106146071

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylbutyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-(4-chloro-2-methylbutyl)pyrrolidine-1-sulfonamide (CID 66090656) is N-(4-chloro-2-methylbutyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(4-chloro-2-methylbutyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-(4-chloro-2-methylbutyl)pyrrolidine-1-sulfonamide is CC(CCCl)CNS(=O)(=O)N1CCCC1.
What is the InChIKey of N-(4-chloro-2-methylbutyl)pyrrolidine-1-sulfonamide?
The InChIKey is CIVZTUYCQFFOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19ClN2O2S/c1-9(4-5-10)8-11-15(13,14)12-6-2-3-7-12/h9,11H,2-8H2,1H3.
What are the key properties of N-(4-chloro-2-methylbutyl)pyrrolidine-1-sulfonamide?
N-(4-chloro-2-methylbutyl)pyrrolidine-1-sulfonamide has a molecular weight of 254.78 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylbutyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 66090656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).