N-(3-iodoprop-2-ynyl)-N-phenylpiperidine-1-sulfonamide

C14H17IN2O2S — CID 13295193

IUPACN-(3-iodoprop-2-ynyl)-N-phenylpiperidine-1-sulfonamide
SMILESO=S(=O)(N1CCCCC1)N(CC#CI)c1ccccc1
InChIInChI=1S/C14H17IN2O2S/c15-10-7-13-17(14-8-3-1-4-9-14)20(18,19)16-11-5-2-6-12-16/h1,3-4,8-9H,2,5-6,11-13H2
InChIKeyDSMDPERRHTZDJS-UHFFFAOYSA-N
MW404.27 g/mol
LogP2.62
Rot. Bonds4

About N-(3-iodoprop-2-ynyl)-N-phenylpiperidine-1-sulfonamide

N-(3-iodoprop-2-ynyl)-N-phenylpiperidine-1-sulfonamide (PubChem CID 13295193) has the molecular formula C14H17IN2O2S and a molecular weight of 404.27 g/mol. Its IUPAC name is N-(3-iodoprop-2-ynyl)-N-phenylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-iodoprop-2-ynyl)-N-phenylpiperidine-1-sulfonamide
PubChem CID13295193
Molecular FormulaC14H17IN2O2S
Molecular Weight404.27 g/mol
Exact Mass404.01
IUPAC NameN-(3-iodoprop-2-ynyl)-N-phenylpiperidine-1-sulfonamide
SMILESO=S(=O)(N1CCCCC1)N(CC#CI)c1ccccc1
InChIInChI=1S/C14H17IN2O2S/c15-10-7-13-17(14-8-3-1-4-9-14)20(18,19)16-11-5-2-6-12-16/h1,3-4,8-9H,2,5-6,11-13H2
InChIKeyDSMDPERRHTZDJS-UHFFFAOYSA-N
XLogP2.62
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.27
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-N-phenylpiperidine-1-sulfonamide
CID 111462838
3-(N-pyrrolidin-1-ylsulfonylanilino)propanoic acid
CID 60829650
methyl 4-[(N-piperidin-1-ylsulfonylanilino)methyl]benzoate
CID 159868704
N-ethyl-N-(3-hydroxyphenyl)azepane-1-sulfonamide
CID 103223804
N-(3-aminophenyl)-N-ethylazepane-1-sulfonamide
CID 63230096
N-(2-cyanoethyl)-4-methyl-N-phenylpiperidine-1-sulfonamide
CID 29032011
2-(2-amino-N-pyrrolidin-1-ylsulfonylanilino)acetic acid
CID 63118246
4-[2-methoxyethyl(pyrrolidin-1-ylsulfonyl)amino]benzoic acid
CID 154800853
N-(3-aminopropyl)-N-(2-methylphenyl)piperidine-1-sulfonamide
CID 43318689
N-(2-aminophenyl)-N-(2-hydroxyethyl)pyrrolidine-1-sulfonamide
CID 43550524
N-benzyl-N-(cyclobutylmethyl)piperidine-1-sulfonamide
CID 86841877
N-(3-aminopropyl)-N-benzylpiperidine-1-sulfonamide
CID 107366720

Frequently Asked Questions

What is the IUPAC name of N-(3-iodoprop-2-ynyl)-N-phenylpiperidine-1-sulfonamide?
The IUPAC name of N-(3-iodoprop-2-ynyl)-N-phenylpiperidine-1-sulfonamide (CID 13295193) is N-(3-iodoprop-2-ynyl)-N-phenylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(3-iodoprop-2-ynyl)-N-phenylpiperidine-1-sulfonamide?
The canonical SMILES for N-(3-iodoprop-2-ynyl)-N-phenylpiperidine-1-sulfonamide is O=S(=O)(N1CCCCC1)N(CC#CI)c1ccccc1.
What is the InChIKey of N-(3-iodoprop-2-ynyl)-N-phenylpiperidine-1-sulfonamide?
The InChIKey is DSMDPERRHTZDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17IN2O2S/c15-10-7-13-17(14-8-3-1-4-9-14)20(18,19)16-11-5-2-6-12-16/h1,3-4,8-9H,2,5-6,11-13H2.
What are the key properties of N-(3-iodoprop-2-ynyl)-N-phenylpiperidine-1-sulfonamide?
N-(3-iodoprop-2-ynyl)-N-phenylpiperidine-1-sulfonamide has a molecular weight of 404.27 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodoprop-2-ynyl)-N-phenylpiperidine-1-sulfonamide is sourced from PubChem (CID 13295193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).