2,5-dichloro-N-(cyclopentylmethyl)-3-(methylaminomethyl)benzenesulfonamide

C14H20Cl2N2O2S — CID 106027118

IUPAC2,5-dichloro-N-(cyclopentylmethyl)-3-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cc(Cl)cc(S(=O)(=O)NCC2CCCC2)c1Cl
InChIInChI=1S/C14H20Cl2N2O2S/c1-17-9-11-6-12(15)7-13(14(11)16)21(19,20)18-8-10-4-2-3-5-10/h6-7,10,17-18H,2-5,8-9H2,1H3
InChIKeyCJZKQVBEMPJCND-UHFFFAOYSA-N
MW351.30 g/mol
LogP3.18
Rot. Bonds6

About 2,5-dichloro-N-(cyclopentylmethyl)-3-(methylaminomethyl)benzenesulfonamide

2,5-dichloro-N-(cyclopentylmethyl)-3-(methylaminomethyl)benzenesulfonamide (PubChem CID 106027118) has the molecular formula C14H20Cl2N2O2S and a molecular weight of 351.30 g/mol. Its IUPAC name is 2,5-dichloro-N-(cyclopentylmethyl)-3-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(cyclopentylmethyl)-3-(methylaminomethyl)benzenesulfonamide
PubChem CID106027118
Molecular FormulaC14H20Cl2N2O2S
Molecular Weight351.30 g/mol
Exact Mass350.06
IUPAC Name2,5-dichloro-N-(cyclopentylmethyl)-3-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cc(Cl)cc(S(=O)(=O)NCC2CCCC2)c1Cl
InChIInChI=1S/C14H20Cl2N2O2S/c1-17-9-11-6-12(15)7-13(14(11)16)21(19,20)18-8-10-4-2-3-5-10/h6-7,10,17-18H,2-5,8-9H2,1H3
InChIKeyCJZKQVBEMPJCND-UHFFFAOYSA-N
XLogP3.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.30
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-3-(hydroxymethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 106000226
2,5-dichloro-3-(methylaminomethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 106076311
5-chloro-N-(cyclohexylmethyl)-2-methoxybenzenesulfonamide
CID 100566408
3-amino-2-bromo-5-chloro-N-(cyclohexylmethyl)benzenesulfonamide
CID 62955309
2,5-dichloro-N-(1-ethylsulfanylpropan-2-yl)-3-(methylaminomethyl)benzenesulfonamide
CID 106083377
5-chloro-3-(cyclobutylmethylsulfamoyl)-2-methoxybenzoic acid
CID 43510568
2,5-dichloro-3-[(cyclopropylamino)methyl]-N',N'-dimethylbenzenesulfonohydrazide
CID 106074660
5-amino-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide
CID 43370966
5-chloro-2-methyl-3-(methylaminomethyl)-N-propylbenzenesulfonamide
CID 82885171
5-chloro-2-methyl-3-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 82884286
4-bromo-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide
CID 46406690
3,5-dichloro-N-(cyclopropylmethyl)benzenesulfonamide
CID 2799391

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(cyclopentylmethyl)-3-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(cyclopentylmethyl)-3-(methylaminomethyl)benzenesulfonamide (CID 106027118) is 2,5-dichloro-N-(cyclopentylmethyl)-3-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(cyclopentylmethyl)-3-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(cyclopentylmethyl)-3-(methylaminomethyl)benzenesulfonamide is CNCc1cc(Cl)cc(S(=O)(=O)NCC2CCCC2)c1Cl.
What is the InChIKey of 2,5-dichloro-N-(cyclopentylmethyl)-3-(methylaminomethyl)benzenesulfonamide?
The InChIKey is CJZKQVBEMPJCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O2S/c1-17-9-11-6-12(15)7-13(14(11)16)21(19,20)18-8-10-4-2-3-5-10/h6-7,10,17-18H,2-5,8-9H2,1H3.
What are the key properties of 2,5-dichloro-N-(cyclopentylmethyl)-3-(methylaminomethyl)benzenesulfonamide?
2,5-dichloro-N-(cyclopentylmethyl)-3-(methylaminomethyl)benzenesulfonamide has a molecular weight of 351.30 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(cyclopentylmethyl)-3-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106027118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).