N-cyclohexyl-2-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide

C16H21NO3S — CID 60823066

IUPACN-cyclohexyl-2-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccccc1C#CCO
InChIInChI=1S/C16H21NO3S/c1-17(15-10-3-2-4-11-15)21(19,20)16-12-6-5-8-14(16)9-7-13-18/h5-6,8,12,15,18H,2-4,10-11,13H2,1H3
InChIKeyIISGXFSPJDWMBP-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.98
Rot. Bonds3

About N-cyclohexyl-2-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide

N-cyclohexyl-2-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide (PubChem CID 60823066) has the molecular formula C16H21NO3S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-cyclohexyl-2-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide
PubChem CID60823066
Molecular FormulaC16H21NO3S
Molecular Weight307.42 g/mol
Exact Mass307.12
IUPAC NameN-cyclohexyl-2-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccccc1C#CCO
InChIInChI=1S/C16H21NO3S/c1-17(15-10-3-2-4-11-15)21(19,20)16-12-6-5-8-14(16)9-7-13-18/h5-6,8,12,15,18H,2-4,10-11,13H2,1H3
InChIKeyIISGXFSPJDWMBP-UHFFFAOYSA-N
XLogP1.98
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.98
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

2-cyano-N-cyclopropyl-N-methylbenzenesulfonamide
CID 43247485
2-(3-hydroxyprop-1-ynyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 115986948
2-[cycloheptyl(methyl)sulfamoyl]benzoic acid
CID 43613846
2-amino-N-cyclopentyl-N-methylbenzenesulfonamide
CID 43266885
2-(3-hydroxyprop-1-ynyl)-N-(3-methoxypropyl)-N-methylbenzenesulfonamide
CID 62986078
3-[2-[4-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]prop-2-yn-1-ol
CID 60844241
N-cyclopropyl-3-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide
CID 54926862
2-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82937866
3-chloro-N-cyclopentyl-N,2-dimethylbenzenesulfonamide
CID 112823940
2-(3-hydroxyprop-1-ynyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106258909
2-cyano-N-[2-[cyclopentyl(methyl)amino]ethyl]-N-methylbenzenesulfonamide
CID 131929212
2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide
CID 110726799

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide?
The IUPAC name of N-cyclohexyl-2-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide (CID 60823066) is N-cyclohexyl-2-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-2-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide?
The canonical SMILES for N-cyclohexyl-2-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide is CN(C1CCCCC1)S(=O)(=O)c1ccccc1C#CCO.
What is the InChIKey of N-cyclohexyl-2-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide?
The InChIKey is IISGXFSPJDWMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S/c1-17(15-10-3-2-4-11-15)21(19,20)16-12-6-5-8-14(16)9-7-13-18/h5-6,8,12,15,18H,2-4,10-11,13H2,1H3.
What are the key properties of N-cyclohexyl-2-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide?
N-cyclohexyl-2-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide has a molecular weight of 307.42 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 60823066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).