N-(2-iodophenyl)-N-prop-2-enylmethanesulfonamide

C10H12INO2S — CID 11325190

IUPACN-(2-iodophenyl)-N-prop-2-enylmethanesulfonamide
SMILESC=CCN(c1ccccc1I)S(C)(=O)=O
InChIInChI=1S/C10H12INO2S/c1-3-8-12(15(2,13)14)10-7-5-4-6-9(10)11/h3-7H,1,8H2,2H3
InChIKeyVUEFUZCKSACHRC-UHFFFAOYSA-N
MW337.18 g/mol
LogP2.24
Rot. Bonds4

About N-(2-iodophenyl)-N-prop-2-enylmethanesulfonamide

N-(2-iodophenyl)-N-prop-2-enylmethanesulfonamide (PubChem CID 11325190) has the molecular formula C10H12INO2S and a molecular weight of 337.18 g/mol. Its IUPAC name is N-(2-iodophenyl)-N-prop-2-enylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-N-prop-2-enylmethanesulfonamide
PubChem CID11325190
Molecular FormulaC10H12INO2S
Molecular Weight337.18 g/mol
Exact Mass336.96
IUPAC NameN-(2-iodophenyl)-N-prop-2-enylmethanesulfonamide
SMILESC=CCN(c1ccccc1I)S(C)(=O)=O
InChIInChI=1S/C10H12INO2S/c1-3-8-12(15(2,13)14)10-7-5-4-6-9(10)11/h3-7H,1,8H2,2H3
InChIKeyVUEFUZCKSACHRC-UHFFFAOYSA-N
XLogP2.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.18
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-iodophenyl)-N-(3-methylbut-3-enyl)methanesulfonamide
CID 46176793
N-(4-hydroxyphenyl)-N-prop-2-enylmethanesulfonamide
CID 67807537
N-(4-bromophenyl)-N-prop-2-enylmethanesulfonamide
CID 10946182
N-phenylmethoxy-N-prop-2-enylmethanesulfonamide
CID 88828954
N-(2-methylphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
CID 967212
N-prop-2-enyl-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 21176284
4-[methylsulfonyl(prop-2-enyl)amino]-N-phenylbenzamide
CID 967226
3-(N-ethylsulfonyl-2-iodoanilino)propanoic acid
CID 50890749
N-(2-methylphenyl)-N-prop-2-enylthiophene-2-sulfonamide
CID 100547015
4-[methylsulfonyl(prop-2-enyl)amino]-N-(2-phenylphenyl)benzamide
CID 2975458
2-[3-methylbut-2-enyl(methylsulfonyl)amino]benzenediazonium
CID 15474171
N-(2-ethylphenyl)-4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide
CID 100515606

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-N-prop-2-enylmethanesulfonamide?
The IUPAC name of N-(2-iodophenyl)-N-prop-2-enylmethanesulfonamide (CID 11325190) is N-(2-iodophenyl)-N-prop-2-enylmethanesulfonamide.
What is the SMILES notation for N-(2-iodophenyl)-N-prop-2-enylmethanesulfonamide?
The canonical SMILES for N-(2-iodophenyl)-N-prop-2-enylmethanesulfonamide is C=CCN(c1ccccc1I)S(C)(=O)=O.
What is the InChIKey of N-(2-iodophenyl)-N-prop-2-enylmethanesulfonamide?
The InChIKey is VUEFUZCKSACHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12INO2S/c1-3-8-12(15(2,13)14)10-7-5-4-6-9(10)11/h3-7H,1,8H2,2H3.
What are the key properties of N-(2-iodophenyl)-N-prop-2-enylmethanesulfonamide?
N-(2-iodophenyl)-N-prop-2-enylmethanesulfonamide has a molecular weight of 337.18 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-N-prop-2-enylmethanesulfonamide is sourced from PubChem (CID 11325190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).