N-(1-phenylhept-2-ynyl)benzenesulfonamide

C19H21NO2S — CID 11522715

IUPACN-(1-phenylhept-2-ynyl)benzenesulfonamide
SMILESCCCCC#CC(NS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO2S/c1-2-3-4-11-16-19(17-12-7-5-8-13-17)20-23(21,22)18-14-9-6-10-15-18/h5-10,12-15,19-20H,2-4H2,1H3
InChIKeyMCFUXBPPUSYKEQ-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.90
Rot. Bonds6

About N-(1-phenylhept-2-ynyl)benzenesulfonamide

N-(1-phenylhept-2-ynyl)benzenesulfonamide (PubChem CID 11522715) has the molecular formula C19H21NO2S and a molecular weight of 327.45 g/mol. Its IUPAC name is N-(1-phenylhept-2-ynyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-phenylhept-2-ynyl)benzenesulfonamide
PubChem CID11522715
Molecular FormulaC19H21NO2S
Molecular Weight327.45 g/mol
Exact Mass327.13
IUPAC NameN-(1-phenylhept-2-ynyl)benzenesulfonamide
SMILESCCCCC#CC(NS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO2S/c1-2-3-4-11-16-19(17-12-7-5-8-13-17)20-23(21,22)18-14-9-6-10-15-18/h5-10,12-15,19-20H,2-4H2,1H3
InChIKeyMCFUXBPPUSYKEQ-UHFFFAOYSA-N
XLogP3.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1,5-diphenylpent-2-ynyl]-4-methylbenzenesulfonamide
CID 102410746
methyl [(1S)-1-phenylhept-2-ynyl] carbonate
CID 102499656
N-diphenylphosphoryl-1-phenylnon-2-yn-1-amine
CID 132581027
N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153
N-(1-aminohexan-2-yl)benzenesulfonamide;hydrochloride
CID 119993034
2,2,2-trichloroethyl N-(1-phenylhept-2-ynyl)carbamate
CID 102299157
N-nonan-4-ylbenzenesulfonamide
CID 174769116
N-[(1S)-1,3-diphenylprop-2-ynyl]-4-methoxybenzenesulfonamide
CID 102410740
N-[4-(benzotriazol-1-yl)-1-phenylbut-2-ynyl]-4-methylbenzenesulfonamide
CID 3783055
1-butylsulfanylhept-2-ynylbenzene
CID 101226273
methyl 1-phenyloct-2-ynyl carbonate
CID 11054408
ethyl (2R,3S)-2-(benzenesulfonamido)-3-hydroxy-3-phenylpropanoate
CID 7375482

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylhept-2-ynyl)benzenesulfonamide?
The IUPAC name of N-(1-phenylhept-2-ynyl)benzenesulfonamide (CID 11522715) is N-(1-phenylhept-2-ynyl)benzenesulfonamide.
What is the SMILES notation for N-(1-phenylhept-2-ynyl)benzenesulfonamide?
The canonical SMILES for N-(1-phenylhept-2-ynyl)benzenesulfonamide is CCCCC#CC(NS(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-(1-phenylhept-2-ynyl)benzenesulfonamide?
The InChIKey is MCFUXBPPUSYKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2S/c1-2-3-4-11-16-19(17-12-7-5-8-13-17)20-23(21,22)18-14-9-6-10-15-18/h5-10,12-15,19-20H,2-4H2,1H3.
What are the key properties of N-(1-phenylhept-2-ynyl)benzenesulfonamide?
N-(1-phenylhept-2-ynyl)benzenesulfonamide has a molecular weight of 327.45 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylhept-2-ynyl)benzenesulfonamide is sourced from PubChem (CID 11522715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).