N-cyclopentyl-5-(4-hydroxybut-1-ynyl)-2-methylbenzenesulfonamide

C16H21NO3S — CID 60824735

IUPACN-cyclopentyl-5-(4-hydroxybut-1-ynyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(C#CCCO)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C16H21NO3S/c1-13-9-10-14(6-4-5-11-18)12-16(13)21(19,20)17-15-7-2-3-8-15/h9-10,12,15,17-18H,2-3,5,7-8,11H2,1H3
InChIKeyMQJKLSIESCKLEY-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.95
Rot. Bonds4

About N-cyclopentyl-5-(4-hydroxybut-1-ynyl)-2-methylbenzenesulfonamide

N-cyclopentyl-5-(4-hydroxybut-1-ynyl)-2-methylbenzenesulfonamide (PubChem CID 60824735) has the molecular formula C16H21NO3S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-cyclopentyl-5-(4-hydroxybut-1-ynyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-5-(4-hydroxybut-1-ynyl)-2-methylbenzenesulfonamide
PubChem CID60824735
Molecular FormulaC16H21NO3S
Molecular Weight307.42 g/mol
Exact Mass307.12
IUPAC NameN-cyclopentyl-5-(4-hydroxybut-1-ynyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(C#CCCO)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C16H21NO3S/c1-13-9-10-14(6-4-5-11-18)12-16(13)21(19,20)17-15-7-2-3-8-15/h9-10,12,15,17-18H,2-3,5,7-8,11H2,1H3
InChIKeyMQJKLSIESCKLEY-UHFFFAOYSA-N
XLogP1.95
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.95
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

2-chloro-N-cyclopentyl-4-(4-hydroxybut-1-ynyl)benzenesulfonamide
CID 60824580
5-(3-hydroxyprop-1-ynyl)-2-methyl-N-(thiolan-3-yl)benzenesulfonamide
CID 103064479
4-[4-(cyclopropylsulfamoylamino)-3-methylphenyl]but-3-yn-1-ol
CID 114811753
N-cyclopropyl-4-(4-hydroxybut-1-ynyl)-3-methylbenzenesulfonamide
CID 54926200
5-bromo-N-cyclohexyl-2-methylbenzenesulfonamide
CID 47113443
5-(3-aminoprop-1-ynyl)-2-methyl-N-(2-methylcyclopentyl)benzenesulfonamide
CID 63279395
5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-2-methylbenzenesulfonamide
CID 60843963
N-[[3-(cyclopentylsulfamoyl)-4-methylphenyl]methyl]acetamide
CID 122191046
N-ethyl-5-(4-hydroxybut-1-ynyl)-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 60845648
5-(3-hydroxyprop-1-ynyl)-2-methyl-N-piperidin-1-ylbenzenesulfonamide
CID 83015385
N-cyclopropyl-4-fluoro-2-(4-hydroxybut-1-ynyl)benzenesulfonamide
CID 54926202
3-(4-hydroxybut-1-ynyl)-N-(oxan-4-yl)benzenesulfonamide
CID 60823700

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-(4-hydroxybut-1-ynyl)-2-methylbenzenesulfonamide?
The IUPAC name of N-cyclopentyl-5-(4-hydroxybut-1-ynyl)-2-methylbenzenesulfonamide (CID 60824735) is N-cyclopentyl-5-(4-hydroxybut-1-ynyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-5-(4-hydroxybut-1-ynyl)-2-methylbenzenesulfonamide?
The canonical SMILES for N-cyclopentyl-5-(4-hydroxybut-1-ynyl)-2-methylbenzenesulfonamide is Cc1ccc(C#CCCO)cc1S(=O)(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-5-(4-hydroxybut-1-ynyl)-2-methylbenzenesulfonamide?
The InChIKey is MQJKLSIESCKLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S/c1-13-9-10-14(6-4-5-11-18)12-16(13)21(19,20)17-15-7-2-3-8-15/h9-10,12,15,17-18H,2-3,5,7-8,11H2,1H3.
What are the key properties of N-cyclopentyl-5-(4-hydroxybut-1-ynyl)-2-methylbenzenesulfonamide?
N-cyclopentyl-5-(4-hydroxybut-1-ynyl)-2-methylbenzenesulfonamide has a molecular weight of 307.42 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-(4-hydroxybut-1-ynyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 60824735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).