N-(5-iodo-2-pyridinyl)-1-(oxolan-2-yl)methanesulfonamide

C10H13IN2O3S — CID 65098715

IUPACN-(5-iodo-2-pyridinyl)-1-(oxolan-2-yl)methanesulfonamide
SMILESO=S(=O)(CC1CCCO1)Nc1ccc(I)cn1
InChIInChI=1S/C10H13IN2O3S/c11-8-3-4-10(12-6-8)13-17(14,15)7-9-2-1-5-16-9/h3-4,6,9H,1-2,5,7H2,(H,12,13)
InChIKeyQJGYFNJVSCLLEG-UHFFFAOYSA-N
MW368.20 g/mol
LogP1.61
Rot. Bonds4

About N-(5-iodo-2-pyridinyl)-1-(oxolan-2-yl)methanesulfonamide

N-(5-iodo-2-pyridinyl)-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 65098715) has the molecular formula C10H13IN2O3S and a molecular weight of 368.20 g/mol. Its IUPAC name is N-(5-iodo-2-pyridinyl)-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-iodo-2-pyridinyl)-1-(oxolan-2-yl)methanesulfonamide
PubChem CID65098715
Molecular FormulaC10H13IN2O3S
Molecular Weight368.20 g/mol
Exact Mass367.97
IUPAC NameN-(5-iodo-2-pyridinyl)-1-(oxolan-2-yl)methanesulfonamide
SMILESO=S(=O)(CC1CCCO1)Nc1ccc(I)cn1
InChIInChI=1S/C10H13IN2O3S/c11-8-3-4-10(12-6-8)13-17(14,15)7-9-2-1-5-16-9/h3-4,6,9H,1-2,5,7H2,(H,12,13)
InChIKeyQJGYFNJVSCLLEG-UHFFFAOYSA-N
XLogP1.61
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.20
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-4-iodophenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 113238115
4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide
CID 63247383
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1-(oxolan-2-yl)methanesulfonamide
CID 102821586
N-(3-amino-2-pyridinyl)-1-(oxolan-2-yl)methanesulfonamide
CID 113391859
2-(oxolan-2-ylmethylsulfonylamino)pyridine-3-carboxylic acid
CID 63654102
(2S)-N-(5-iodo-2-pyridinyl)oxolane-2-carboxamide
CID 103873257
2-[4-(oxolan-2-ylmethylsulfonylamino)phenyl]acetic acid
CID 63246519
5-(oxolan-2-ylmethylsulfonylamino)-1H-pyrazole-4-carbothioamide
CID 79499481
3-[6-(oxolan-2-ylmethylsulfonylamino)-2-pyridinyl]prop-2-enoic acid
CID 76988941
N-(1,5-dimethylpyrazol-3-yl)-1-(oxan-2-yl)methanesulfonamide
CID 154840984
2-(oxolan-2-ylmethylsulfonylamino)benzenesulfonyl fluoride
CID 116814305
N-(4-amino-3-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246840

Frequently Asked Questions

What is the IUPAC name of N-(5-iodo-2-pyridinyl)-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-(5-iodo-2-pyridinyl)-1-(oxolan-2-yl)methanesulfonamide (CID 65098715) is N-(5-iodo-2-pyridinyl)-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(5-iodo-2-pyridinyl)-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-(5-iodo-2-pyridinyl)-1-(oxolan-2-yl)methanesulfonamide is O=S(=O)(CC1CCCO1)Nc1ccc(I)cn1.
What is the InChIKey of N-(5-iodo-2-pyridinyl)-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is QJGYFNJVSCLLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2O3S/c11-8-3-4-10(12-6-8)13-17(14,15)7-9-2-1-5-16-9/h3-4,6,9H,1-2,5,7H2,(H,12,13).
What are the key properties of N-(5-iodo-2-pyridinyl)-1-(oxolan-2-yl)methanesulfonamide?
N-(5-iodo-2-pyridinyl)-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 368.20 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-iodo-2-pyridinyl)-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 65098715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).