4-amino-2,6-dichloro-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide

C13H18Cl2N2O2S — CID 63820548

IUPAC4-amino-2,6-dichloro-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
SMILESCC1(CNS(=O)(=O)c2c(Cl)cc(N)cc2Cl)CCCC1
InChIInChI=1S/C13H18Cl2N2O2S/c1-13(4-2-3-5-13)8-17-20(18,19)12-10(14)6-9(16)7-11(12)15/h6-7,17H,2-5,8,16H2,1H3
InChIKeyXEJAMCKYDCPQFI-UHFFFAOYSA-N
MW337.27 g/mol
LogP3.43
Rot. Bonds4

About 4-amino-2,6-dichloro-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide

4-amino-2,6-dichloro-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide (PubChem CID 63820548) has the molecular formula C13H18Cl2N2O2S and a molecular weight of 337.27 g/mol. Its IUPAC name is 4-amino-2,6-dichloro-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dichloro-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
PubChem CID63820548
Molecular FormulaC13H18Cl2N2O2S
Molecular Weight337.27 g/mol
Exact Mass336.05
IUPAC Name4-amino-2,6-dichloro-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
SMILESCC1(CNS(=O)(=O)c2c(Cl)cc(N)cc2Cl)CCCC1
InChIInChI=1S/C13H18Cl2N2O2S/c1-13(4-2-3-5-13)8-17-20(18,19)12-10(14)6-9(16)7-11(12)15/h6-7,17H,2-5,8,16H2,1H3
InChIKeyXEJAMCKYDCPQFI-UHFFFAOYSA-N
XLogP3.43
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.27
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2,6-dichloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide
CID 114755685
4-amino-2,6-dichloro-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63981794
5-amino-2-ethyl-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63821839
4-amino-2,6-dichloro-N-(2,2-dimethylcyclopentyl)benzenesulfonamide
CID 79861863
4-amino-2,6-dichloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 43257027
5-amino-2-ethoxy-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63831793
methyl 2-[(4-amino-2,6-dichlorophenyl)sulfonylamino]acetate
CID 43257166
4-amino-2-cyano-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63822731
2-amino-4,6-dichloro-N-[[1-(dimethylamino)cyclobutyl]methyl]benzenesulfonamide
CID 105413574
4-bromo-2,6-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide
CID 115362863
4-amino-2,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 114628394
4-amino-2,6-dichloro-N-(2-ethoxyethyl)benzenesulfonamide
CID 43590962

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dichloro-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dichloro-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide (CID 63820548) is 4-amino-2,6-dichloro-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dichloro-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dichloro-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide is CC1(CNS(=O)(=O)c2c(Cl)cc(N)cc2Cl)CCCC1.
What is the InChIKey of 4-amino-2,6-dichloro-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide?
The InChIKey is XEJAMCKYDCPQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O2S/c1-13(4-2-3-5-13)8-17-20(18,19)12-10(14)6-9(16)7-11(12)15/h6-7,17H,2-5,8,16H2,1H3.
What are the key properties of 4-amino-2,6-dichloro-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide?
4-amino-2,6-dichloro-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide has a molecular weight of 337.27 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dichloro-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide is sourced from PubChem (CID 63820548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).