5-amino-2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide

C14H22ClN3O2S — CID 62991663

IUPAC5-amino-2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1cc(N)ccc1Cl)CN1CCCC1
InChIInChI=1S/C14H22ClN3O2S/c1-11(10-18-6-2-3-7-18)9-17-21(19,20)14-8-12(16)4-5-13(14)15/h4-5,8,11,17H,2-3,6-7,9-10,16H2,1H3
InChIKeyCTXKMZMSTXZIEX-UHFFFAOYSA-N
MW331.87 g/mol
LogP1.93
Rot. Bonds6

About 5-amino-2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide

5-amino-2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide (PubChem CID 62991663) has the molecular formula C14H22ClN3O2S and a molecular weight of 331.87 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
PubChem CID62991663
Molecular FormulaC14H22ClN3O2S
Molecular Weight331.87 g/mol
Exact Mass331.11
IUPAC Name5-amino-2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1cc(N)ccc1Cl)CN1CCCC1
InChIInChI=1S/C14H22ClN3O2S/c1-11(10-18-6-2-3-7-18)9-17-21(19,20)14-8-12(16)4-5-13(14)15/h4-5,8,11,17H,2-3,6-7,9-10,16H2,1H3
InChIKeyCTXKMZMSTXZIEX-UHFFFAOYSA-N
XLogP1.93
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 62991124
3-amino-4-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 115329291
2-[(5-amino-2-chlorophenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 43567646
6-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-3-sulfonamide
CID 61045800
3-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)benzenesulfonamide
CID 61060155
5-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]furan-2-carboxylic acid
CID 62989592
2,5-dimethoxy-N-(2-methyl-3-piperidin-1-ylpropyl)benzenesulfonamide
CID 60530202
4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzene-1,4-diamine
CID 62990067
5-amino-2-chloro-N-(4-hydroxy-2,2-dimethylbutyl)benzenesulfonamide
CID 106139709
5-amino-2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide
CID 29033224
4-ethylsulfonyl-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]benzenesulfonamide
CID 51966450
4-amino-2-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 63980942

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide (CID 62991663) is 5-amino-2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide is CC(CNS(=O)(=O)c1cc(N)ccc1Cl)CN1CCCC1.
What is the InChIKey of 5-amino-2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The InChIKey is CTXKMZMSTXZIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2S/c1-11(10-18-6-2-3-7-18)9-17-21(19,20)14-8-12(16)4-5-13(14)15/h4-5,8,11,17H,2-3,6-7,9-10,16H2,1H3.
What are the key properties of 5-amino-2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
5-amino-2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide has a molecular weight of 331.87 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 62991663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).