N-cyclopentyl-2-methoxy-4-methylbenzenesulfonamide

C13H19NO3S — CID 172906018

IUPACN-cyclopentyl-2-methoxy-4-methylbenzenesulfonamide
SMILESCOc1cc(C)ccc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C13H19NO3S/c1-10-7-8-13(12(9-10)17-2)18(15,16)14-11-5-3-4-6-11/h7-9,11,14H,3-6H2,1-2H3
InChIKeyPFYFCKLLFBGRSO-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.22
Rot. Bonds4

About N-cyclopentyl-2-methoxy-4-methylbenzenesulfonamide

N-cyclopentyl-2-methoxy-4-methylbenzenesulfonamide (PubChem CID 172906018) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-cyclopentyl-2-methoxy-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-2-methoxy-4-methylbenzenesulfonamide
PubChem CID172906018
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC NameN-cyclopentyl-2-methoxy-4-methylbenzenesulfonamide
SMILESCOc1cc(C)ccc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C13H19NO3S/c1-10-7-8-13(12(9-10)17-2)18(15,16)14-11-5-3-4-6-11/h7-9,11,14H,3-6H2,1-2H3
InChIKeyPFYFCKLLFBGRSO-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

4-(cyclopentylsulfamoyl)-3-methoxybenzoic acid
CID 102694641
N-cyclopentyl-2-methoxy-4-propan-2-ylbenzenesulfonamide
CID 110758409
N-cyclododecyl-2,4-dimethylbenzenesulfonamide
CID 19681945
N-cyclohexyl-2,5-dimethoxy-4-methylbenzenesulfonamide
CID 6464098
N-cyclohexyl-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 2234313
4-chloro-N-cycloheptyl-2,5-dimethoxybenzenesulfonamide
CID 2200633
N-cycloheptyl-2,4-dimethoxy-3-methylbenzenesulfonamide
CID 110758716
2-amino-N-cyclobutyl-4-methylbenzenesulfonamide
CID 62414526
N-cyclohexyl-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 47314932
N-cyclopentyl-4-methoxynaphthalene-1-sulfonamide
CID 7314514
5-amino-N-cyclobutyl-2-methoxy-4-methylbenzenesulfonamide
CID 79974645
N-cyclopropyl-4-(hydroxymethyl)-2-methoxybenzenesulfonamide
CID 102703982

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-methoxy-4-methylbenzenesulfonamide?
The IUPAC name of N-cyclopentyl-2-methoxy-4-methylbenzenesulfonamide (CID 172906018) is N-cyclopentyl-2-methoxy-4-methylbenzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-2-methoxy-4-methylbenzenesulfonamide?
The canonical SMILES for N-cyclopentyl-2-methoxy-4-methylbenzenesulfonamide is COc1cc(C)ccc1S(=O)(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-methoxy-4-methylbenzenesulfonamide?
The InChIKey is PFYFCKLLFBGRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-10-7-8-13(12(9-10)17-2)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-4-methylbenzenesulfonamide?
N-cyclopentyl-2-methoxy-4-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-4-methylbenzenesulfonamide is sourced from PubChem (CID 172906018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).