N-(3-iodophenyl)-2-phenylethanesulfonamide

C14H14INO2S — CID 47309570

IUPACN-(3-iodophenyl)-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)Nc1cccc(I)c1
InChIInChI=1S/C14H14INO2S/c15-13-7-4-8-14(11-13)16-19(17,18)10-9-12-5-2-1-3-6-12/h1-8,11,16H,9-10H2
InChIKeyISNZLHDRTVHCEB-UHFFFAOYSA-N
MW387.24 g/mol
LogP3.28
Rot. Bonds5

About N-(3-iodophenyl)-2-phenylethanesulfonamide

N-(3-iodophenyl)-2-phenylethanesulfonamide (PubChem CID 47309570) has the molecular formula C14H14INO2S and a molecular weight of 387.24 g/mol. Its IUPAC name is N-(3-iodophenyl)-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-(3-iodophenyl)-2-phenylethanesulfonamide
PubChem CID47309570
Molecular FormulaC14H14INO2S
Molecular Weight387.24 g/mol
Exact Mass386.98
IUPAC NameN-(3-iodophenyl)-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)Nc1cccc(I)c1
InChIInChI=1S/C14H14INO2S/c15-13-7-4-8-14(11-13)16-19(17,18)10-9-12-5-2-1-3-6-12/h1-8,11,16H,9-10H2
InChIKeyISNZLHDRTVHCEB-UHFFFAOYSA-N
XLogP3.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.24
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-N-(3-iodophenyl)methanesulfonamide
CID 63664275
2-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]ethanesulfonamide
CID 110720322
N-(2-iodophenyl)-2-phenylethanesulfonamide
CID 47177540
N-[4-(4-chloroanilino)phenyl]-2-phenylethanesulfonamide
CID 112987053
N-(4-chloro-3-hydroxyphenyl)-2-phenylethanesulfonamide
CID 80685966
N-(3-amino-4-methylphenyl)-2-phenylethanesulfonamide
CID 39395711
N-(3-bromo-4-chlorophenyl)-2-phenylethanesulfonamide
CID 80686183
2-phenyl-N-thiophen-3-ylethanesulfonamide
CID 71991634
N-(6-amino-3-pyridinyl)-2-phenylethanesulfonamide
CID 60792395
N-[6-(3-chloroanilino)-3-pyridinyl]-2-phenylethanesulfonamide
CID 113018574
(3-iodophenyl) 2-phenylethanesulfonate
CID 47315670
N-[4-(oxiran-2-yl)phenyl]-2-phenylethanesulfonamide
CID 19898930

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)-2-phenylethanesulfonamide?
The IUPAC name of N-(3-iodophenyl)-2-phenylethanesulfonamide (CID 47309570) is N-(3-iodophenyl)-2-phenylethanesulfonamide.
What is the SMILES notation for N-(3-iodophenyl)-2-phenylethanesulfonamide?
The canonical SMILES for N-(3-iodophenyl)-2-phenylethanesulfonamide is O=S(=O)(CCc1ccccc1)Nc1cccc(I)c1.
What is the InChIKey of N-(3-iodophenyl)-2-phenylethanesulfonamide?
The InChIKey is ISNZLHDRTVHCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14INO2S/c15-13-7-4-8-14(11-13)16-19(17,18)10-9-12-5-2-1-3-6-12/h1-8,11,16H,9-10H2.
What are the key properties of N-(3-iodophenyl)-2-phenylethanesulfonamide?
N-(3-iodophenyl)-2-phenylethanesulfonamide has a molecular weight of 387.24 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)-2-phenylethanesulfonamide is sourced from PubChem (CID 47309570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).