4-(benzenesulfonyl)-N-iodopiperidine-1-carboxamide

C12H15IN2O3S — CID 143541768

IUPAC4-(benzenesulfonyl)-N-iodopiperidine-1-carboxamide
SMILESO=C(NI)N1CCC(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C12H15IN2O3S/c13-14-12(16)15-8-6-11(7-9-15)19(17,18)10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,16)
InChIKeyPKIUYXPMSGCFRO-UHFFFAOYSA-N
MW394.23 g/mol
LogP1.98
Rot. Bonds2

About 4-(benzenesulfonyl)-N-iodopiperidine-1-carboxamide

4-(benzenesulfonyl)-N-iodopiperidine-1-carboxamide (PubChem CID 143541768) has the molecular formula C12H15IN2O3S and a molecular weight of 394.23 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-iodopiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-iodopiperidine-1-carboxamide
PubChem CID143541768
Molecular FormulaC12H15IN2O3S
Molecular Weight394.23 g/mol
Exact Mass393.98
IUPAC Name4-(benzenesulfonyl)-N-iodopiperidine-1-carboxamide
SMILESO=C(NI)N1CCC(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C12H15IN2O3S/c13-14-12(16)15-8-6-11(7-9-15)19(17,18)10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,16)
InChIKeyPKIUYXPMSGCFRO-UHFFFAOYSA-N
XLogP1.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.23
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(benzenesulfonyl)piperidin-1-yl]-cyclopentylmethanone
CID 90589335
1-[4-(benzenesulfonyl)piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 90589120
[4-(benzenesulfonyl)piperidin-1-yl]-cyclohexylmethanone
CID 90589378
(3R)-3-(benzenesulfonyl)-N-ethylpyrrolidine-1-carboxamide
CID 97414974
[4-(benzenesulfonyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 90589122
4-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 90589401
4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 90589407
(3S)-3-(benzenesulfonyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 97354940
(3R)-3-(benzenesulfonyl)-N-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 129373851
3-(benzenesulfonyl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 90585047
[4-(benzenesulfonyl)piperidin-1-yl]-(4-thiophen-3-ylphenyl)methanone
CID 71808743
4-(4-methylphenyl)sulfonyl-N-(2-methylsulfanylphenyl)piperidine-1-carboxamide
CID 24731921

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-iodopiperidine-1-carboxamide?
The IUPAC name of 4-(benzenesulfonyl)-N-iodopiperidine-1-carboxamide (CID 143541768) is 4-(benzenesulfonyl)-N-iodopiperidine-1-carboxamide.
What is the SMILES notation for 4-(benzenesulfonyl)-N-iodopiperidine-1-carboxamide?
The canonical SMILES for 4-(benzenesulfonyl)-N-iodopiperidine-1-carboxamide is O=C(NI)N1CCC(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 4-(benzenesulfonyl)-N-iodopiperidine-1-carboxamide?
The InChIKey is PKIUYXPMSGCFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IN2O3S/c13-14-12(16)15-8-6-11(7-9-15)19(17,18)10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,16).
What are the key properties of 4-(benzenesulfonyl)-N-iodopiperidine-1-carboxamide?
4-(benzenesulfonyl)-N-iodopiperidine-1-carboxamide has a molecular weight of 394.23 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-iodopiperidine-1-carboxamide is sourced from PubChem (CID 143541768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).