N-[(1S)-1,3-diphenylprop-2-ynyl]-4-methoxybenzenesulfonamide

C22H19NO3S — CID 102410740

IUPACN-[(1S)-1,3-diphenylprop-2-ynyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](C#Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H19NO3S/c1-26-20-13-15-21(16-14-20)27(24,25)23-22(19-10-6-3-7-11-19)17-12-18-8-4-2-5-9-18/h2-11,13-16,22-23H,1H3/t22-/m1/s1
InChIKeyGHJDHDFWKFMAKN-JOCHJYFZSA-N
MW377.47 g/mol
LogP3.77
Rot. Bonds5

About N-[(1S)-1,3-diphenylprop-2-ynyl]-4-methoxybenzenesulfonamide

N-[(1S)-1,3-diphenylprop-2-ynyl]-4-methoxybenzenesulfonamide (PubChem CID 102410740) has the molecular formula C22H19NO3S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[(1S)-1,3-diphenylprop-2-ynyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1,3-diphenylprop-2-ynyl]-4-methoxybenzenesulfonamide
PubChem CID102410740
Molecular FormulaC22H19NO3S
Molecular Weight377.47 g/mol
Exact Mass377.11
IUPAC NameN-[(1S)-1,3-diphenylprop-2-ynyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](C#Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H19NO3S/c1-26-20-13-15-21(16-14-20)27(24,25)23-22(19-10-6-3-7-11-19)17-12-18-8-4-2-5-9-18/h2-11,13-16,22-23H,1H3/t22-/m1/s1
InChIKeyGHJDHDFWKFMAKN-JOCHJYFZSA-N
XLogP3.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1,4-diphenylbut-3-ynyl]-4-methoxybenzenesulfonamide
CID 134879610
N-[1-(4-fluorophenyl)-3-phenylprop-2-ynyl]-4-methylbenzenesulfonamide
CID 23649829
4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 4092765
4-methoxy-N-[3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-2-ynyl]benzenesulfonamide
CID 102582925
2-[(4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid
CID 500044
N-(2-chloro-1-phenylethyl)-4-methoxybenzenesulfonamide
CID 65031277
(1R)-N-diphenylphosphoryl-1-(4-methoxyphenyl)-3-phenylprop-2-yn-1-amine
CID 101481551
N-[cyano-(4-methylphenyl)methyl]-4-methoxybenzenesulfonamide
CID 110664230
4-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide
CID 46764694
(2R,3R)-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-phenyl-3-phenylmethoxypent-4-ynoic acid
CID 10840201
N-[2-(dimethylamino)-1-phenylethyl]-4-methoxybenzenesulfonamide
CID 54774542
N-(2,2-diphenylethyl)-4-methoxybenzenesulfonamide
CID 25041291

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1,3-diphenylprop-2-ynyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[(1S)-1,3-diphenylprop-2-ynyl]-4-methoxybenzenesulfonamide (CID 102410740) is N-[(1S)-1,3-diphenylprop-2-ynyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(1S)-1,3-diphenylprop-2-ynyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[(1S)-1,3-diphenylprop-2-ynyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N[C@H](C#Cc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[(1S)-1,3-diphenylprop-2-ynyl]-4-methoxybenzenesulfonamide?
The InChIKey is GHJDHDFWKFMAKN-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H19NO3S/c1-26-20-13-15-21(16-14-20)27(24,25)23-22(19-10-6-3-7-11-19)17-12-18-8-4-2-5-9-18/h2-11,13-16,22-23H,1H3/t22-/m1/s1.
What are the key properties of N-[(1S)-1,3-diphenylprop-2-ynyl]-4-methoxybenzenesulfonamide?
N-[(1S)-1,3-diphenylprop-2-ynyl]-4-methoxybenzenesulfonamide has a molecular weight of 377.47 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1,3-diphenylprop-2-ynyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 102410740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).