N-[3-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]propyl]naphthalene-2-sulfonamide

C20H23N5O3S — CID 42321320

IUPACN-[3-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]propyl]naphthalene-2-sulfonamide
SMILESO=C(c1cn(CCCNS(=O)(=O)c2ccc3ccccc3c2)nn1)N1CCCC1
InChIInChI=1S/C20H23N5O3S/c26-20(24-11-3-4-12-24)19-15-25(23-22-19)13-5-10-21-29(27,28)18-9-8-16-6-1-2-7-17(16)14-18/h1-2,6-9,14-15,21H,3-5,10-13H2
InChIKeyVEQFLPNASLSSLO-UHFFFAOYSA-N
MW413.50 g/mol
LogP2.04
Rot. Bonds7

About N-[3-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]propyl]naphthalene-2-sulfonamide

N-[3-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]propyl]naphthalene-2-sulfonamide (PubChem CID 42321320) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[3-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]propyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]propyl]naphthalene-2-sulfonamide
PubChem CID42321320
Molecular FormulaC20H23N5O3S
Molecular Weight413.50 g/mol
Exact Mass413.15
IUPAC NameN-[3-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]propyl]naphthalene-2-sulfonamide
SMILESO=C(c1cn(CCCNS(=O)(=O)c2ccc3ccccc3c2)nn1)N1CCCC1
InChIInChI=1S/C20H23N5O3S/c26-20(24-11-3-4-12-24)19-15-25(23-22-19)13-5-10-21-29(27,28)18-9-8-16-6-1-2-7-17(16)14-18/h1-2,6-9,14-15,21H,3-5,10-13H2
InChIKeyVEQFLPNASLSSLO-UHFFFAOYSA-N
XLogP2.04
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(naphthalen-2-ylsulfonylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide
CID 39948497
N-[2-[4-(4-methyl-1,4-diazepane-1-carbonyl)triazol-1-yl]ethyl]-2-naphthalen-2-ylacetamide
CID 25306522
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]naphthalene-2-sulfonamide
CID 8573229
3-(naphthalen-2-ylsulfonylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 17459741
3-(naphthalen-2-ylsulfonylamino)-N-piperidin-1-ylpropanamide
CID 9271723
N-methyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]benzenesulfonamide
CID 42362609
N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide
CID 30170513
N-[2-(pyrrolidine-1-carbonyl)phenyl]naphthalene-2-sulfonamide
CID 1095030
3-(piperidine-1-carbonyl)-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 72877749
N-[3-oxo-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]naphthalene-2-sulfonamide
CID 56550806
[1-[1-(3-phenylpropyl)triazole-4-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 42112383
N-[3-(3-aminopiperidin-1-yl)-3-oxopropyl]naphthalene-2-sulfonamide
CID 119380130

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]propyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[3-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]propyl]naphthalene-2-sulfonamide (CID 42321320) is N-[3-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]propyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[3-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]propyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[3-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]propyl]naphthalene-2-sulfonamide is O=C(c1cn(CCCNS(=O)(=O)c2ccc3ccccc3c2)nn1)N1CCCC1.
What is the InChIKey of N-[3-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]propyl]naphthalene-2-sulfonamide?
The InChIKey is VEQFLPNASLSSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3S/c26-20(24-11-3-4-12-24)19-15-25(23-22-19)13-5-10-21-29(27,28)18-9-8-16-6-1-2-7-17(16)14-18/h1-2,6-9,14-15,21H,3-5,10-13H2.
What are the key properties of N-[3-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]propyl]naphthalene-2-sulfonamide?
N-[3-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]propyl]naphthalene-2-sulfonamide has a molecular weight of 413.50 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]propyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 42321320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).