N-cyclopentyl-4,5-dimethyl-2-pentoxybenzenesulfonamide

C18H29NO3S — CID 39116409

IUPACN-cyclopentyl-4,5-dimethyl-2-pentoxybenzenesulfonamide
SMILESCCCCCOc1cc(C)c(C)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C18H29NO3S/c1-4-5-8-11-22-17-12-14(2)15(3)13-18(17)23(20,21)19-16-9-6-7-10-16/h12-13,16,19H,4-11H2,1-3H3
InChIKeyHQXSVRWMMRFMJK-UHFFFAOYSA-N
MW339.50 g/mol
LogP4.09
Rot. Bonds8

About N-cyclopentyl-4,5-dimethyl-2-pentoxybenzenesulfonamide

N-cyclopentyl-4,5-dimethyl-2-pentoxybenzenesulfonamide (PubChem CID 39116409) has the molecular formula C18H29NO3S and a molecular weight of 339.50 g/mol. Its IUPAC name is N-cyclopentyl-4,5-dimethyl-2-pentoxybenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-4,5-dimethyl-2-pentoxybenzenesulfonamide
PubChem CID39116409
Molecular FormulaC18H29NO3S
Molecular Weight339.50 g/mol
Exact Mass339.19
IUPAC NameN-cyclopentyl-4,5-dimethyl-2-pentoxybenzenesulfonamide
SMILESCCCCCOc1cc(C)c(C)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C18H29NO3S/c1-4-5-8-11-22-17-12-14(2)15(3)13-18(17)23(20,21)19-16-9-6-7-10-16/h12-13,16,19H,4-11H2,1-3H3
InChIKeyHQXSVRWMMRFMJK-UHFFFAOYSA-N
XLogP4.09
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.50
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-isopropyl-2-methoxy-N-(tetrahydro-2-furanylmethyl)benzenesulfonamide
CID 4565916
(R)-(-)-5-(2-Aminopropyl)-2-methoxybenzenesulfonamide
CID 10060387
N-cyclohexyl-2-ethoxy-5-methylbenzenesulfonamide
CID 850126
N-cyclopentyl-2-methoxy-5-methylbenzenesulfonamide
CID 967889
N-[2-(1-cyclohexen-1-yl)ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 967893
5-Isopropyl-2-methoxy-4-methyl-N-(2,2,6,6-tetramethyl-piperidin-4-yl)-benzenesulfonamide
CID 1091003
5-tert-butyl-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 2967885
N-cycloheptyl-2-methoxy-5-methylbenzenesulfonamide
CID 934558
2-methoxy-4,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 991848
N-cyclohexyl-2-methoxy-5-methylbenzenesulfonamide
CID 801220
2-methoxy-5-methyl-N-pentylbenzenesulfonamide
CID 2222264
N-cyclopentyl-2-{2-[(diethylamino)sulfonyl]-4,5-dimethylphenoxy}acetamide
CID 2992822

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4,5-dimethyl-2-pentoxybenzenesulfonamide?
The IUPAC name of N-cyclopentyl-4,5-dimethyl-2-pentoxybenzenesulfonamide (CID 39116409) is N-cyclopentyl-4,5-dimethyl-2-pentoxybenzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-4,5-dimethyl-2-pentoxybenzenesulfonamide?
The canonical SMILES for N-cyclopentyl-4,5-dimethyl-2-pentoxybenzenesulfonamide is CCCCCOc1cc(C)c(C)cc1S(=O)(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-4,5-dimethyl-2-pentoxybenzenesulfonamide?
The InChIKey is HQXSVRWMMRFMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3S/c1-4-5-8-11-22-17-12-14(2)15(3)13-18(17)23(20,21)19-16-9-6-7-10-16/h12-13,16,19H,4-11H2,1-3H3.
What are the key properties of N-cyclopentyl-4,5-dimethyl-2-pentoxybenzenesulfonamide?
N-cyclopentyl-4,5-dimethyl-2-pentoxybenzenesulfonamide has a molecular weight of 339.50 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4,5-dimethyl-2-pentoxybenzenesulfonamide is sourced from PubChem (CID 39116409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).