N-[2-(3-cyclopropyl-1-hydroxyprop-2-ynyl)phenyl]-4-methylbenzenesulfonamide

C19H19NO3S — CID 71501621

IUPACN-[2-(3-cyclopropyl-1-hydroxyprop-2-ynyl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2C(O)C#CC2CC2)cc1
InChIInChI=1S/C19H19NO3S/c1-14-6-11-16(12-7-14)24(22,23)20-18-5-3-2-4-17(18)19(21)13-10-15-8-9-15/h2-7,11-12,15,19-21H,8-9H2,1H3
InChIKeyWLSBEAOXTCMZSD-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.24
Rot. Bonds4

About N-[2-(3-cyclopropyl-1-hydroxyprop-2-ynyl)phenyl]-4-methylbenzenesulfonamide

N-[2-(3-cyclopropyl-1-hydroxyprop-2-ynyl)phenyl]-4-methylbenzenesulfonamide (PubChem CID 71501621) has the molecular formula C19H19NO3S and a molecular weight of 341.43 g/mol. Its IUPAC name is N-[2-(3-cyclopropyl-1-hydroxyprop-2-ynyl)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3-cyclopropyl-1-hydroxyprop-2-ynyl)phenyl]-4-methylbenzenesulfonamide
PubChem CID71501621
Molecular FormulaC19H19NO3S
Molecular Weight341.43 g/mol
Exact Mass341.11
IUPAC NameN-[2-(3-cyclopropyl-1-hydroxyprop-2-ynyl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2C(O)C#CC2CC2)cc1
InChIInChI=1S/C19H19NO3S/c1-14-6-11-16(12-7-14)24(22,23)20-18-5-3-2-4-17(18)19(21)13-10-15-8-9-15/h2-7,11-12,15,19-21H,8-9H2,1H3
InChIKeyWLSBEAOXTCMZSD-UHFFFAOYSA-N
XLogP3.24
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.24
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-[2-[chloro(phenyl)methyl]phenyl]-4-methylbenzenesulfonamide
CID 172728368
N-[2-[(E)-1-hydroxy-3-phenylprop-2-enyl]phenyl]-4-methylbenzenesulfonamide
CID 102344906
N-[5-chloro-2-(1-hydroxy-3-phenylprop-2-ynyl)phenyl]-4-methylbenzenesulfonamide
CID 166437309
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
N-[2-(1-hydroxyethyl)phenyl]benzenesulfonamide
CID 43416706
1,3-bis[2-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 170548847
(2S)-N-[2-[(4-methylphenyl)sulfonylamino]phenyl]pyrrolidine-2-carboxamide
CID 45112179
N-[2-(1,3-dioxolan-2-yl)phenyl]-4-methylbenzenesulfonamide
CID 169370766
4-methyl-N-[2-[(1R)-1-morpholin-4-ium-4-yl-3-phenylprop-2-ynyl]phenyl]benzenesulfonamide
CID 6969563
N-[3-hydroxy-2-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
CID 70133555
4-methyl-N-[2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]diazenyl]phenyl]benzenesulfonamide
CID 102274853
4-methyl-N-(2,4,5-trimethoxyphenyl)benzenesulfonamide
CID 101056071

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclopropyl-1-hydroxyprop-2-ynyl)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(3-cyclopropyl-1-hydroxyprop-2-ynyl)phenyl]-4-methylbenzenesulfonamide (CID 71501621) is N-[2-(3-cyclopropyl-1-hydroxyprop-2-ynyl)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(3-cyclopropyl-1-hydroxyprop-2-ynyl)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(3-cyclopropyl-1-hydroxyprop-2-ynyl)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccccc2C(O)C#CC2CC2)cc1.
What is the InChIKey of N-[2-(3-cyclopropyl-1-hydroxyprop-2-ynyl)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is WLSBEAOXTCMZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3S/c1-14-6-11-16(12-7-14)24(22,23)20-18-5-3-2-4-17(18)19(21)13-10-15-8-9-15/h2-7,11-12,15,19-21H,8-9H2,1H3.
What are the key properties of N-[2-(3-cyclopropyl-1-hydroxyprop-2-ynyl)phenyl]-4-methylbenzenesulfonamide?
N-[2-(3-cyclopropyl-1-hydroxyprop-2-ynyl)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 341.43 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclopropyl-1-hydroxyprop-2-ynyl)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 71501621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).