2-[(Z)-2-iodoprop-1-enyl]sulfonylaniline

C9H10INO2S — CID 143593371

IUPAC2-[(Z)-2-iodoprop-1-enyl]sulfonylaniline
SMILESC/C(I)=C/S(=O)(=O)c1ccccc1N
InChIInChI=1S/C9H10INO2S/c1-7(10)6-14(12,13)9-5-3-2-4-8(9)11/h2-6H,11H2,1H3/b7-6-
InChIKeyUCEKFDJZOLAYPD-SREVYHEPSA-N
MW323.16 g/mol
LogP2.34
Rot. Bonds2

About 2-[(Z)-2-iodoprop-1-enyl]sulfonylaniline

2-[(Z)-2-iodoprop-1-enyl]sulfonylaniline (PubChem CID 143593371) has the molecular formula C9H10INO2S and a molecular weight of 323.16 g/mol. Its IUPAC name is 2-[(Z)-2-iodoprop-1-enyl]sulfonylaniline.

Molecular Properties

Compound Name2-[(Z)-2-iodoprop-1-enyl]sulfonylaniline
PubChem CID143593371
Molecular FormulaC9H10INO2S
Molecular Weight323.16 g/mol
Exact Mass322.95
IUPAC Name2-[(Z)-2-iodoprop-1-enyl]sulfonylaniline
SMILESC/C(I)=C/S(=O)(=O)c1ccccc1N
InChIInChI=1S/C9H10INO2S/c1-7(10)6-14(12,13)9-5-3-2-4-8(9)11/h2-6H,11H2,1H3/b7-6-
InChIKeyUCEKFDJZOLAYPD-SREVYHEPSA-N
XLogP2.34
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.16
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylprop-1-enylsulfonyl)aniline
CID 143253650
lithium 2-aminobenzenesulfonate
CID 59248314
3-(2-methylprop-1-enylsulfonyl)pyridin-4-amine
CID 143335351
4-(2-methylprop-1-enylsulfonyl)pyridin-3-amine
CID 70323652
2-aminobenzenesulfonic acid;3-oxobutanoic acid
CID 88789184
prop-2-enyl 2-aminobenzenesulfonate
CID 22600773
2-amino-N-(2-methylpropyl)benzenesulfonamide
CID 16787736
1-(2-aminophenyl)sulfonyl-3-methylurea
CID 116645969
2-amino-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 79248106
4-(2-aminophenyl)sulfonyl-N-methylbutanamide
CID 63889973
2-(4-tert-butylphenyl)sulfonylaniline
CID 71398614
2-aminobenzenesulfonic acid;triazine
CID 174751882

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-iodoprop-1-enyl]sulfonylaniline?
The IUPAC name of 2-[(Z)-2-iodoprop-1-enyl]sulfonylaniline (CID 143593371) is 2-[(Z)-2-iodoprop-1-enyl]sulfonylaniline.
What is the SMILES notation for 2-[(Z)-2-iodoprop-1-enyl]sulfonylaniline?
The canonical SMILES for 2-[(Z)-2-iodoprop-1-enyl]sulfonylaniline is C/C(I)=C/S(=O)(=O)c1ccccc1N.
What is the InChIKey of 2-[(Z)-2-iodoprop-1-enyl]sulfonylaniline?
The InChIKey is UCEKFDJZOLAYPD-SREVYHEPSA-N. The full InChI is InChI=1S/C9H10INO2S/c1-7(10)6-14(12,13)9-5-3-2-4-8(9)11/h2-6H,11H2,1H3/b7-6-.
What are the key properties of 2-[(Z)-2-iodoprop-1-enyl]sulfonylaniline?
2-[(Z)-2-iodoprop-1-enyl]sulfonylaniline has a molecular weight of 323.16 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-iodoprop-1-enyl]sulfonylaniline is sourced from PubChem (CID 143593371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).