N-cyclopentyl-2-methoxy-4-propan-2-ylbenzenesulfonamide

C15H23NO3S — CID 110758409

IUPACN-cyclopentyl-2-methoxy-4-propan-2-ylbenzenesulfonamide
SMILESCOc1cc(C(C)C)ccc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C15H23NO3S/c1-11(2)12-8-9-15(14(10-12)19-3)20(17,18)16-13-6-4-5-7-13/h8-11,13,16H,4-7H2,1-3H3
InChIKeyNQKBHBNPLRNEBW-UHFFFAOYSA-N
MW297.42 g/mol
LogP3.04
Rot. Bonds5

About N-cyclopentyl-2-methoxy-4-propan-2-ylbenzenesulfonamide

N-cyclopentyl-2-methoxy-4-propan-2-ylbenzenesulfonamide (PubChem CID 110758409) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-cyclopentyl-2-methoxy-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-2-methoxy-4-propan-2-ylbenzenesulfonamide
PubChem CID110758409
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN-cyclopentyl-2-methoxy-4-propan-2-ylbenzenesulfonamide
SMILESCOc1cc(C(C)C)ccc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C15H23NO3S/c1-11(2)12-8-9-15(14(10-12)19-3)20(17,18)16-13-6-4-5-7-13/h8-11,13,16H,4-7H2,1-3H3
InChIKeyNQKBHBNPLRNEBW-UHFFFAOYSA-N
XLogP3.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-methoxy-4-methylbenzenesulfonamide
CID 172906018
2-methoxy-N,4-di(propan-2-yl)benzenesulfonamide
CID 110758402
4-(cyclopentylsulfamoyl)-3-methoxybenzoic acid
CID 102694641
2-methoxy-N-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzenesulfonamide
CID 99967091
N-cyclopentyl-4-methoxynaphthalene-1-sulfonamide
CID 7314514
N-cyclopentyl-4-propan-2-ylbenzenesulfonamide
CID 6469335
N-cyclohexyl-2,5-dimethoxy-4-methylbenzenesulfonamide
CID 6464098
N-cyclohexyl-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 2234313
2-methoxy-4-propan-2-yl-N-pyrimidin-2-ylbenzenesulfonamide
CID 110758446
4-chloro-N-cycloheptyl-2,5-dimethoxybenzenesulfonamide
CID 2200633
methyl 3-methoxy-4-(piperidin-4-ylsulfamoyl)benzoate
CID 120706280
3-(cyclopentylsulfamoyl)-4-methoxy-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 27833083

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-methoxy-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-cyclopentyl-2-methoxy-4-propan-2-ylbenzenesulfonamide (CID 110758409) is N-cyclopentyl-2-methoxy-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-2-methoxy-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-cyclopentyl-2-methoxy-4-propan-2-ylbenzenesulfonamide is COc1cc(C(C)C)ccc1S(=O)(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-methoxy-4-propan-2-ylbenzenesulfonamide?
The InChIKey is NQKBHBNPLRNEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-11(2)12-8-9-15(14(10-12)19-3)20(17,18)16-13-6-4-5-7-13/h8-11,13,16H,4-7H2,1-3H3.
What are the key properties of N-cyclopentyl-2-methoxy-4-propan-2-ylbenzenesulfonamide?
N-cyclopentyl-2-methoxy-4-propan-2-ylbenzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 3.04, 5 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-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 110758409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).