N-(1-cyclopropylpiperidin-4-yl)-2,5-dimethoxybenzenesulfonamide

C16H24N2O4S — CID 18141546

IUPACN-(1-cyclopropylpiperidin-4-yl)-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NC2CCN(C3CC3)CC2)c1
InChIInChI=1S/C16H24N2O4S/c1-21-14-5-6-15(22-2)16(11-14)23(19,20)17-12-7-9-18(10-8-12)13-3-4-13/h5-6,11-13,17H,3-4,7-10H2,1-2H3
InChIKeyRMRAXESTHGSPJR-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.61
Rot. Bonds6

About N-(1-cyclopropylpiperidin-4-yl)-2,5-dimethoxybenzenesulfonamide

N-(1-cyclopropylpiperidin-4-yl)-2,5-dimethoxybenzenesulfonamide (PubChem CID 18141546) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-(1-cyclopropylpiperidin-4-yl)-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1-cyclopropylpiperidin-4-yl)-2,5-dimethoxybenzenesulfonamide
PubChem CID18141546
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC NameN-(1-cyclopropylpiperidin-4-yl)-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NC2CCN(C3CC3)CC2)c1
InChIInChI=1S/C16H24N2O4S/c1-21-14-5-6-15(22-2)16(11-14)23(19,20)17-12-7-9-18(10-8-12)13-3-4-13/h5-6,11-13,17H,3-4,7-10H2,1-2H3
InChIKeyRMRAXESTHGSPJR-UHFFFAOYSA-N
XLogP1.61
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethoxy-N-(4-methylcyclohexyl)benzenesulfonamide
CID 17377849
ethyl 4-[(2,5-dimethoxyphenyl)sulfonylamino]piperidine-1-carboxylate
CID 32944673
2,5-dimethoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79686260
2,5-dimethoxy-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]benzenesulfonamide
CID 60540087
2,5-dimethoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120586052
4-methoxy-2-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 110736336
2,5-dimethoxy-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 768909
5-tert-butyl-N-cyclopropyl-2-methoxybenzenesulfonamide
CID 110757527
2-methoxy-N-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzenesulfonamide
CID 99967091
methyl 3-[(1-cyclopropylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate
CID 18148661
N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2,5-dimethoxybenzenesulfonamide
CID 71838519
1-cyclopropyl-4-(2,4-dimethoxyphenyl)sulfonylpiperazine
CID 110708580

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpiperidin-4-yl)-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-(1-cyclopropylpiperidin-4-yl)-2,5-dimethoxybenzenesulfonamide (CID 18141546) is N-(1-cyclopropylpiperidin-4-yl)-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(1-cyclopropylpiperidin-4-yl)-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(1-cyclopropylpiperidin-4-yl)-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)NC2CCN(C3CC3)CC2)c1.
What is the InChIKey of N-(1-cyclopropylpiperidin-4-yl)-2,5-dimethoxybenzenesulfonamide?
The InChIKey is RMRAXESTHGSPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-21-14-5-6-15(22-2)16(11-14)23(19,20)17-12-7-9-18(10-8-12)13-3-4-13/h5-6,11-13,17H,3-4,7-10H2,1-2H3.
What are the key properties of N-(1-cyclopropylpiperidin-4-yl)-2,5-dimethoxybenzenesulfonamide?
N-(1-cyclopropylpiperidin-4-yl)-2,5-dimethoxybenzenesulfonamide has a molecular weight of 340.45 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpiperidin-4-yl)-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 18141546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).