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

C23H21NO3S — CID 134879610

IUPACN-[(1S)-1,4-diphenylbut-3-ynyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](CC#Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H21NO3S/c1-27-21-15-17-22(18-16-21)28(25,26)24-23(20-12-6-3-7-13-20)14-8-11-19-9-4-2-5-10-19/h2-7,9-10,12-13,15-18,23-24H,14H2,1H3/t23-/m0/s1
InChIKeyKIMZLZXUUQNPPK-QHCPKHFHSA-N
MW391.49 g/mol
LogP4.16
Rot. Bonds6

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

N-[(1S)-1,4-diphenylbut-3-ynyl]-4-methoxybenzenesulfonamide (PubChem CID 134879610) has the molecular formula C23H21NO3S and a molecular weight of 391.49 g/mol. Its IUPAC name is N-[(1S)-1,4-diphenylbut-3-ynyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1,4-diphenylbut-3-ynyl]-4-methoxybenzenesulfonamide
PubChem CID134879610
Molecular FormulaC23H21NO3S
Molecular Weight391.49 g/mol
Exact Mass391.12
IUPAC NameN-[(1S)-1,4-diphenylbut-3-ynyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](CC#Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H21NO3S/c1-27-21-15-17-22(18-16-21)28(25,26)24-23(20-12-6-3-7-13-20)14-8-11-19-9-4-2-5-10-19/h2-7,9-10,12-13,15-18,23-24H,14H2,1H3/t23-/m0/s1
InChIKeyKIMZLZXUUQNPPK-QHCPKHFHSA-N
XLogP4.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(1S)-1,4-diphenylbut-3-ynyl]-4-methoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloro-1-phenylethyl)-4-methoxybenzenesulfonamide
CID 65031277
N-[(1S)-1,3-diphenylprop-2-ynyl]-4-methoxybenzenesulfonamide
CID 102410740
4-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide
CID 46764694
N-[2-(dimethylamino)-1-phenylethyl]-4-methoxybenzenesulfonamide
CID 54774542
4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 4092765
4-methoxy-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
CID 8844917
methyl 9-[(4-methoxyphenyl)sulfonylamino]-9-phenylnonanoate
CID 139616851
2-[(4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid
CID 500044
4-phenoxy-N-(1-phenylpropyl)benzenesulfonamide
CID 43904422
N-(2,2-diphenylethyl)-4-methoxybenzenesulfonamide
CID 25041291
3-(4-methoxyphenyl)-3-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)propanamide
CID 3618581
4-chloro-N-[(1S)-1-(4-methoxyphenyl)propyl]benzenesulfonamide
CID 40753625

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1,4-diphenylbut-3-ynyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[(1S)-1,4-diphenylbut-3-ynyl]-4-methoxybenzenesulfonamide (CID 134879610) is N-[(1S)-1,4-diphenylbut-3-ynyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(1S)-1,4-diphenylbut-3-ynyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[(1S)-1,4-diphenylbut-3-ynyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N[C@@H](CC#Cc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[(1S)-1,4-diphenylbut-3-ynyl]-4-methoxybenzenesulfonamide?
The InChIKey is KIMZLZXUUQNPPK-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H21NO3S/c1-27-21-15-17-22(18-16-21)28(25,26)24-23(20-12-6-3-7-13-20)14-8-11-19-9-4-2-5-10-19/h2-7,9-10,12-13,15-18,23-24H,14H2,1H3/t23-/m0/s1.
What are the key properties of N-[(1S)-1,4-diphenylbut-3-ynyl]-4-methoxybenzenesulfonamide?
N-[(1S)-1,4-diphenylbut-3-ynyl]-4-methoxybenzenesulfonamide has a molecular weight of 391.49 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1,4-diphenylbut-3-ynyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 134879610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).