N-pentyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide

C14H23N3O3S — CID 35288257

IUPACN-pentyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
SMILESCCCCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1
InChIInChI=1S/C14H23N3O3S/c1-2-3-4-7-16-21(19,20)12-10-13(15-11-12)14(18)17-8-5-6-9-17/h10-11,15-16H,2-9H2,1H3
InChIKeyQKVOZZGWXNHQNQ-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.72
Rot. Bonds7

About N-pentyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide

N-pentyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide (PubChem CID 35288257) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-pentyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-pentyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
PubChem CID35288257
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN-pentyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
SMILESCCCCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1
InChIInChI=1S/C14H23N3O3S/c1-2-3-4-7-16-21(19,20)12-10-13(15-11-12)14(18)17-8-5-6-9-17/h10-11,15-16H,2-9H2,1H3
InChIKeyQKVOZZGWXNHQNQ-UHFFFAOYSA-N
XLogP1.72
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.72
H-Bond Donors ≤ 52
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-phenylpropyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 35295357
N-(2-amino-2-ethylbutyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride
CID 119990127
N-pentyl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109059171
N-(1-aminohexan-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride
CID 119993343
N-[2-(methylamino)propyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride
CID 120825513
4-(3-pyrrolidin-1-ylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 43362200
N-(1-amino-2-methylpropan-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 119975801
N-[(2-fluorophenyl)methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 35300489
N-butyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 17226649
3-(azepane-1-carbonyl)-N-butylbenzenesulfonamide
CID 17226694
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 55598880
[4-(4-ethylpiperazin-1-yl)sulfonyl-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 134006724

Frequently Asked Questions

What is the IUPAC name of N-pentyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-pentyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide (CID 35288257) is N-pentyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-pentyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-pentyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide is CCCCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1.
What is the InChIKey of N-pentyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is QKVOZZGWXNHQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-2-3-4-7-16-21(19,20)12-10-13(15-11-12)14(18)17-8-5-6-9-17/h10-11,15-16H,2-9H2,1H3.
What are the key properties of N-pentyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
N-pentyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 313.42 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 35288257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).