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

C16H16N2O2S — CID 135018070

IUPACN-benzyl-2-(prop-2-ynylamino)benzenesulfonamide
SMILESC#CCNc1ccccc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C16H16N2O2S/c1-2-12-17-15-10-6-7-11-16(15)21(19,20)18-13-14-8-4-3-5-9-14/h1,3-11,17-18H,12-13H2
InChIKeyPTHVVARUXYSJIR-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.21
Rot. Bonds6

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

N-benzyl-2-(prop-2-ynylamino)benzenesulfonamide (PubChem CID 135018070) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-benzyl-2-(prop-2-ynylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-2-(prop-2-ynylamino)benzenesulfonamide
PubChem CID135018070
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-benzyl-2-(prop-2-ynylamino)benzenesulfonamide
SMILESC#CCNc1ccccc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C16H16N2O2S/c1-2-12-17-15-10-6-7-11-16(15)21(19,20)18-13-14-8-4-3-5-9-14/h1,3-11,17-18H,12-13H2
InChIKeyPTHVVARUXYSJIR-UHFFFAOYSA-N
XLogP2.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-4-methyl-2-(prop-2-ynylamino)benzenesulfonamide
CID 135017768
N-benzyl-2-(ethylamino)benzenesulfonamide
CID 62148548
N-benzyl-2-hydrazinylbenzenesulfonamide
CID 43454886
N-[(4-bromophenyl)methyl]-2-(ethylamino)benzenesulfonamide
CID 62150324
N-benzyl-2-(cyanomethyl)benzenesulfonamide
CID 90959360
2-propylsulfonyl-N-prop-2-ynylaniline
CID 62141091
2-(ethylamino)-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 62146693
N-benzylnaphthalene-1-sulfonamide
CID 3844256
2-(methylamino)-N-(3-phenylpropyl)benzenesulfonamide
CID 62145986
N-benzyl-5-hydroxynaphthalene-1-sulfonamide
CID 10171893
N-[(4-ethylphenyl)methyl]-2-hydroxybenzenesulfonamide
CID 106900408
2-amino-N-benzyl-3-fluorobenzenesulfonamide
CID 62058430

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(prop-2-ynylamino)benzenesulfonamide?
The IUPAC name of N-benzyl-2-(prop-2-ynylamino)benzenesulfonamide (CID 135018070) is N-benzyl-2-(prop-2-ynylamino)benzenesulfonamide.
What is the SMILES notation for N-benzyl-2-(prop-2-ynylamino)benzenesulfonamide?
The canonical SMILES for N-benzyl-2-(prop-2-ynylamino)benzenesulfonamide is C#CCNc1ccccc1S(=O)(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(prop-2-ynylamino)benzenesulfonamide?
The InChIKey is PTHVVARUXYSJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-2-12-17-15-10-6-7-11-16(15)21(19,20)18-13-14-8-4-3-5-9-14/h1,3-11,17-18H,12-13H2.
What are the key properties of N-benzyl-2-(prop-2-ynylamino)benzenesulfonamide?
N-benzyl-2-(prop-2-ynylamino)benzenesulfonamide has a molecular weight of 300.38 g/mol, XLogP of 2.21, 6 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-ynylamino)benzenesulfonamide is sourced from PubChem (CID 135018070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).