N-benzyl-2-(prop-2-enylamino)benzenesulfonamide

C16H18N2O2S — CID 44601981

IUPACN-benzyl-2-(prop-2-enylamino)benzenesulfonamide
SMILESC=CCNc1ccccc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C16H18N2O2S/c1-2-12-17-15-10-6-7-11-16(15)21(19,20)18-13-14-8-4-3-5-9-14/h2-11,17-18H,1,12-13H2
InChIKeyRHPSTMOSZRLREO-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.76
Rot. Bonds7

About N-benzyl-2-(prop-2-enylamino)benzenesulfonamide

N-benzyl-2-(prop-2-enylamino)benzenesulfonamide (PubChem CID 44601981) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-benzyl-2-(prop-2-enylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-2-(prop-2-enylamino)benzenesulfonamide
PubChem CID44601981
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-benzyl-2-(prop-2-enylamino)benzenesulfonamide
SMILESC=CCNc1ccccc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C16H18N2O2S/c1-2-12-17-15-10-6-7-11-16(15)21(19,20)18-13-14-8-4-3-5-9-14/h2-11,17-18H,1,12-13H2
InChIKeyRHPSTMOSZRLREO-UHFFFAOYSA-N
XLogP2.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(prop-2-enylamino)benzenesulfonamide?
The IUPAC name of N-benzyl-2-(prop-2-enylamino)benzenesulfonamide (CID 44601981) is N-benzyl-2-(prop-2-enylamino)benzenesulfonamide.
What is the SMILES notation for N-benzyl-2-(prop-2-enylamino)benzenesulfonamide?
The canonical SMILES for N-benzyl-2-(prop-2-enylamino)benzenesulfonamide is C=CCNc1ccccc1S(=O)(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(prop-2-enylamino)benzenesulfonamide?
The InChIKey is RHPSTMOSZRLREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-2-12-17-15-10-6-7-11-16(15)21(19,20)18-13-14-8-4-3-5-9-14/h2-11,17-18H,1,12-13H2.
What are the key properties of N-benzyl-2-(prop-2-enylamino)benzenesulfonamide?
N-benzyl-2-(prop-2-enylamino)benzenesulfonamide has a molecular weight of 302.40 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(prop-2-enylamino)benzenesulfonamide is sourced from PubChem (CID 44601981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).