N-pentyl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide

C16H24N2O3S — CID 109059171

IUPACN-pentyl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCCCCCNS(=O)(=O)c1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C16H24N2O3S/c1-2-3-4-11-17-22(20,21)15-9-7-14(8-10-15)16(19)18-12-5-6-13-18/h7-10,17H,2-6,11-13H2,1H3
InChIKeyBLELKUFSFJXWHV-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.39
Rot. Bonds7

About N-pentyl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide

N-pentyl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide (PubChem CID 109059171) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-pentyl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-pentyl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
PubChem CID109059171
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-pentyl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCCCCCNS(=O)(=O)c1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C16H24N2O3S/c1-2-3-4-11-17-22(20,21)15-9-7-14(8-10-15)16(19)18-12-5-6-13-18/h7-10,17H,2-6,11-13H2,1H3
InChIKeyBLELKUFSFJXWHV-UHFFFAOYSA-N
XLogP2.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-4-(piperidine-1-carbonyl)benzenesulfonamide
CID 109059405
N-butyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 17226649
3-(azepane-1-carbonyl)-N-butylbenzenesulfonamide
CID 17226694
N-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109058905
4-(azepane-1-carbonyl)-N-prop-2-ynylbenzenesulfonamide
CID 17466659
N-[4-(butylsulfamoyl)phenyl]pyrrolidine-1-carboxamide
CID 2991195
N-pentyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 35288257
4-(2-chloroacetyl)-N-pentylbenzenesulfonamide
CID 82165572
N-butyl-4-(pentylsulfamoyl)benzamide
CID 109058608
4-chloro-N-[2-[4-(piperidine-1-carbonyl)phenyl]ethyl]benzenesulfonamide
CID 54037896
N-(2-cyanoethyl)-4-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carbonyl]benzenesulfonamide
CID 55815739
N-(3-methoxypropyl)-4-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 109059876

Frequently Asked Questions

What is the IUPAC name of N-pentyl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-pentyl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide (CID 109059171) is N-pentyl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-pentyl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-pentyl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide is CCCCCNS(=O)(=O)c1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of N-pentyl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The InChIKey is BLELKUFSFJXWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-2-3-4-11-17-22(20,21)15-9-7-14(8-10-15)16(19)18-12-5-6-13-18/h7-10,17H,2-6,11-13H2,1H3.
What are the key properties of N-pentyl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide?
N-pentyl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide has a molecular weight of 324.45 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 109059171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).