N-cyclopentyl-2-methoxy-5-methylbenzenesulfonamide

C13H19NO3S — CID 967889

IUPACN-cyclopentyl-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C13H19NO3S/c1-10-7-8-12(17-2)13(9-10)18(15,16)14-11-5-3-4-6-11/h7-9,11,14H,3-6H2,1-2H3
InChIKeyXSYZQUDDADFPNI-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.22
Rot. Bonds4

About N-cyclopentyl-2-methoxy-5-methylbenzenesulfonamide

N-cyclopentyl-2-methoxy-5-methylbenzenesulfonamide (PubChem CID 967889) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-cyclopentyl-2-methoxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-2-methoxy-5-methylbenzenesulfonamide
PubChem CID967889
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC NameN-cyclopentyl-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C13H19NO3S/c1-10-7-8-12(17-2)13(9-10)18(15,16)14-11-5-3-4-6-11/h7-9,11,14H,3-6H2,1-2H3
InChIKeyXSYZQUDDADFPNI-UHFFFAOYSA-N
XLogP2.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxybenzyl)benzenesulfonamide
CID 854251
N-cyclopentyl-4-ethoxy-3-methylbenzenesulfonamide
CID 2992053
5-isopropyl-2-methoxy-N-(tetrahydro-2-furanylmethyl)benzenesulfonamide
CID 4565916
N-cyclopentyl-2,5-dimethoxy-4-methylbenzenesulfonamide
CID 6457913
4-methoxy-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 2915782
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 868666
4-Methoxy-N-(3-phenylpropyl)benzenesulfonamide
CID 1718316
4-Methoxy-N-phenethyl-benzenesulfonamide
CID 739803
5-(2-Aminoethyl)-2-methoxybenzene-1-sulfonamide hydrochloride
CID 21848695
(R)-(-)-5-(2-Aminopropyl)-2-methoxybenzenesulfonamide
CID 10060387
1-(2-Methoxy-5-methyl-benzenesulfonyl)-4-methyl-piperidine
CID 646254
N-cyclohexyl-2-ethoxy-5-methylbenzenesulfonamide
CID 850126

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-methoxy-5-methylbenzenesulfonamide?
The IUPAC name of N-cyclopentyl-2-methoxy-5-methylbenzenesulfonamide (CID 967889) is N-cyclopentyl-2-methoxy-5-methylbenzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-2-methoxy-5-methylbenzenesulfonamide?
The canonical SMILES for N-cyclopentyl-2-methoxy-5-methylbenzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-methoxy-5-methylbenzenesulfonamide?
The InChIKey is XSYZQUDDADFPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-10-7-8-12(17-2)13(9-10)18(15,16)14-11-5-3-4-6-11/h7-9,11,14H,3-6H2,1-2H3.
What are the key properties of N-cyclopentyl-2-methoxy-5-methylbenzenesulfonamide?
N-cyclopentyl-2-methoxy-5-methylbenzenesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-methoxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 967889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).