N-cyclopentyl-2-methyl-5-(2-methylpropanoyl)benzenesulfonamide

C16H23NO3S — CID 39446109

IUPACN-cyclopentyl-2-methyl-5-(2-methylpropanoyl)benzenesulfonamide
SMILESCc1ccc(C(=O)C(C)C)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C16H23NO3S/c1-11(2)16(18)13-9-8-12(3)15(10-13)21(19,20)17-14-6-4-5-7-14/h8-11,14,17H,4-7H2,1-3H3
InChIKeyAPSSRQIXNBSEPU-UHFFFAOYSA-N
MW309.43 g/mol
LogP3.05
Rot. Bonds5

About N-cyclopentyl-2-methyl-5-(2-methylpropanoyl)benzenesulfonamide

N-cyclopentyl-2-methyl-5-(2-methylpropanoyl)benzenesulfonamide (PubChem CID 39446109) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is N-cyclopentyl-2-methyl-5-(2-methylpropanoyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-2-methyl-5-(2-methylpropanoyl)benzenesulfonamide
PubChem CID39446109
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC NameN-cyclopentyl-2-methyl-5-(2-methylpropanoyl)benzenesulfonamide
SMILESCc1ccc(C(=O)C(C)C)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C16H23NO3S/c1-11(2)16(18)13-9-8-12(3)15(10-13)21(19,20)17-14-6-4-5-7-14/h8-11,14,17H,4-7H2,1-3H3
InChIKeyAPSSRQIXNBSEPU-UHFFFAOYSA-N
XLogP3.05
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-3-(cyclopentylsulfamoyl)-N,4-dimethylbenzamide
CID 119583234
2-[[3-(cyclopentylsulfamoyl)-4-methylbenzoyl]amino]acetic acid
CID 119350138
N-cyclopentyl-5-(diazinane-1-carbonyl)-2-methylbenzenesulfonamide
CID 146093151
3-(cyclopentylsulfamoyl)-N-[(2R)-2-(ethylamino)propyl]-4-methylbenzamide;hydrochloride
CID 120651468
N-tert-butyl-2-methyl-5-(2-methylpropanoyl)benzenesulfonamide
CID 39418051
3-(cyclopentylsulfamoyl)-N-[2-(ethylamino)ethyl]-4-methylbenzamide
CID 119507022
5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-cyclopentyl-2-methylbenzenesulfonamide
CID 119632759
5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methylbenzenesulfonamide
CID 119467939
N-[3-(aminomethyl)pentan-3-yl]-3-(cyclopentylsulfamoyl)-4-methylbenzamide
CID 119570340
3-(cyclopentylsulfamoyl)-N,4-dimethyl-N-piperidin-4-ylbenzamide
CID 119442848
5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methylbenzenesulfonamide;hydrochloride
CID 119467938
5-bromo-N-cyclohexyl-2-methylbenzenesulfonamide
CID 47113443

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-methyl-5-(2-methylpropanoyl)benzenesulfonamide?
The IUPAC name of N-cyclopentyl-2-methyl-5-(2-methylpropanoyl)benzenesulfonamide (CID 39446109) is N-cyclopentyl-2-methyl-5-(2-methylpropanoyl)benzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-2-methyl-5-(2-methylpropanoyl)benzenesulfonamide?
The canonical SMILES for N-cyclopentyl-2-methyl-5-(2-methylpropanoyl)benzenesulfonamide is Cc1ccc(C(=O)C(C)C)cc1S(=O)(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-methyl-5-(2-methylpropanoyl)benzenesulfonamide?
The InChIKey is APSSRQIXNBSEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-11(2)16(18)13-9-8-12(3)15(10-13)21(19,20)17-14-6-4-5-7-14/h8-11,14,17H,4-7H2,1-3H3.
What are the key properties of N-cyclopentyl-2-methyl-5-(2-methylpropanoyl)benzenesulfonamide?
N-cyclopentyl-2-methyl-5-(2-methylpropanoyl)benzenesulfonamide has a molecular weight of 309.43 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-methyl-5-(2-methylpropanoyl)benzenesulfonamide is sourced from PubChem (CID 39446109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).