N-(2-chloro-4-iodophenyl)-1-(oxolan-2-yl)methanesulfonamide

C11H13ClINO3S — CID 113238115

IUPACN-(2-chloro-4-iodophenyl)-1-(oxolan-2-yl)methanesulfonamide
SMILESO=S(=O)(CC1CCCO1)Nc1ccc(I)cc1Cl
InChIInChI=1S/C11H13ClINO3S/c12-10-6-8(13)3-4-11(10)14-18(15,16)7-9-2-1-5-17-9/h3-4,6,9,14H,1-2,5,7H2
InChIKeyMFZWONJUPLYZBK-UHFFFAOYSA-N
MW401.65 g/mol
LogP2.87
Rot. Bonds4

About N-(2-chloro-4-iodophenyl)-1-(oxolan-2-yl)methanesulfonamide

N-(2-chloro-4-iodophenyl)-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 113238115) has the molecular formula C11H13ClINO3S and a molecular weight of 401.65 g/mol. Its IUPAC name is N-(2-chloro-4-iodophenyl)-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-iodophenyl)-1-(oxolan-2-yl)methanesulfonamide
PubChem CID113238115
Molecular FormulaC11H13ClINO3S
Molecular Weight401.65 g/mol
Exact Mass400.93
IUPAC NameN-(2-chloro-4-iodophenyl)-1-(oxolan-2-yl)methanesulfonamide
SMILESO=S(=O)(CC1CCCO1)Nc1ccc(I)cc1Cl
InChIInChI=1S/C11H13ClINO3S/c12-10-6-8(13)3-4-11(10)14-18(15,16)7-9-2-1-5-17-9/h3-4,6,9,14H,1-2,5,7H2
InChIKeyMFZWONJUPLYZBK-UHFFFAOYSA-N
XLogP2.87
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.65
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-chlorophenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246560
3-chloro-4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide
CID 63247341
N-(2-chloro-4-iodophenyl)-1-piperidin-2-ylmethanesulfonamide
CID 107605719
4-chloro-3-(oxolan-2-ylmethylsulfonylamino)benzoic acid
CID 63246612
N-(5-iodo-2-pyridinyl)-1-(oxolan-2-yl)methanesulfonamide
CID 65098715
N-[2-chloro-5-(3-hydroxyprop-1-ynyl)phenyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63247049
N-(2-hydroxy-4-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63247039
2-(oxolan-2-ylmethylsulfonylamino)benzenesulfonyl fluoride
CID 116814305
N-[2-(bromomethyl)phenyl]-1-(oxolan-2-yl)methanesulfonamide
CID 113271470
4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide
CID 63247383
N-[2-(methylaminomethyl)phenyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63247176
N-(2-chloro-5-iodophenyl)-3-(oxolan-2-yl)propanamide
CID 113255393

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-iodophenyl)-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-(2-chloro-4-iodophenyl)-1-(oxolan-2-yl)methanesulfonamide (CID 113238115) is N-(2-chloro-4-iodophenyl)-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(2-chloro-4-iodophenyl)-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-(2-chloro-4-iodophenyl)-1-(oxolan-2-yl)methanesulfonamide is O=S(=O)(CC1CCCO1)Nc1ccc(I)cc1Cl.
What is the InChIKey of N-(2-chloro-4-iodophenyl)-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is MFZWONJUPLYZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClINO3S/c12-10-6-8(13)3-4-11(10)14-18(15,16)7-9-2-1-5-17-9/h3-4,6,9,14H,1-2,5,7H2.
What are the key properties of N-(2-chloro-4-iodophenyl)-1-(oxolan-2-yl)methanesulfonamide?
N-(2-chloro-4-iodophenyl)-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 401.65 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-iodophenyl)-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 113238115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).