N-(4-amino-5-chloro-2-methylphenyl)-4-methylpiperidine-1-sulfonamide

C13H20ClN3O2S — CID 104667663

IUPACN-(4-amino-5-chloro-2-methylphenyl)-4-methylpiperidine-1-sulfonamide
SMILESCc1cc(N)c(Cl)cc1NS(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C13H20ClN3O2S/c1-9-3-5-17(6-4-9)20(18,19)16-13-8-11(14)12(15)7-10(13)2/h7-9,16H,3-6,15H2,1-2H3
InChIKeyDKPHSRVGDJYLAZ-UHFFFAOYSA-N
MW317.84 g/mol
LogP2.62
Rot. Bonds3

About N-(4-amino-5-chloro-2-methylphenyl)-4-methylpiperidine-1-sulfonamide

N-(4-amino-5-chloro-2-methylphenyl)-4-methylpiperidine-1-sulfonamide (PubChem CID 104667663) has the molecular formula C13H20ClN3O2S and a molecular weight of 317.84 g/mol. Its IUPAC name is N-(4-amino-5-chloro-2-methylphenyl)-4-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(4-amino-5-chloro-2-methylphenyl)-4-methylpiperidine-1-sulfonamide
PubChem CID104667663
Molecular FormulaC13H20ClN3O2S
Molecular Weight317.84 g/mol
Exact Mass317.10
IUPAC NameN-(4-amino-5-chloro-2-methylphenyl)-4-methylpiperidine-1-sulfonamide
SMILESCc1cc(N)c(Cl)cc1NS(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C13H20ClN3O2S/c1-9-3-5-17(6-4-9)20(18,19)16-13-8-11(14)12(15)7-10(13)2/h7-9,16H,3-6,15H2,1-2H3
InChIKeyDKPHSRVGDJYLAZ-UHFFFAOYSA-N
XLogP2.62
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 52.62
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

N-(5-amino-2-methylphenyl)-4-methylpiperidine-1-sulfonamide
CID 28783386
1-amino-2-chloro-5-methyl-4-(sulfamoylamino)benzene
CID 114958746
N-(2-amino-5-fluorophenyl)-4-methylpiperidine-1-sulfonamide
CID 63257526
N-(4-amino-2,5-dimethylphenyl)azepane-1-sulfonamide
CID 103144757
N-(2-amino-6-bromo-4-methylphenyl)-4-methylpiperidine-1-sulfonamide
CID 116813743
2-chloro-5-methyl-4-N-(4-methylcyclohexyl)benzene-1,4-diamine
CID 113334150
N-(3-amino-4-pyridinyl)-4-methylpiperidine-1-sulfonamide
CID 55147573
N-(2-chloro-4-cyanophenyl)-4-methylpiperidine-1-sulfonamide
CID 107808236
2-chloro-5-methyl-4-(pyrrolidin-1-ylsulfonylamino)benzoic acid
CID 167940996
N-(3-amino-4-ethylphenyl)-4-methylpiperidine-1-sulfonamide
CID 43551097
2-chloro-5-methyl-4-N-(4-methylcycloheptyl)benzene-1,4-diamine
CID 114099091
N-(5-amino-2-bromo-4-methylphenyl)-3-methylpiperidine-1-sulfonamide
CID 104814631

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-5-chloro-2-methylphenyl)-4-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(4-amino-5-chloro-2-methylphenyl)-4-methylpiperidine-1-sulfonamide (CID 104667663) is N-(4-amino-5-chloro-2-methylphenyl)-4-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(4-amino-5-chloro-2-methylphenyl)-4-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(4-amino-5-chloro-2-methylphenyl)-4-methylpiperidine-1-sulfonamide is Cc1cc(N)c(Cl)cc1NS(=O)(=O)N1CCC(C)CC1.
What is the InChIKey of N-(4-amino-5-chloro-2-methylphenyl)-4-methylpiperidine-1-sulfonamide?
The InChIKey is DKPHSRVGDJYLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2S/c1-9-3-5-17(6-4-9)20(18,19)16-13-8-11(14)12(15)7-10(13)2/h7-9,16H,3-6,15H2,1-2H3.
What are the key properties of N-(4-amino-5-chloro-2-methylphenyl)-4-methylpiperidine-1-sulfonamide?
N-(4-amino-5-chloro-2-methylphenyl)-4-methylpiperidine-1-sulfonamide has a molecular weight of 317.84 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-5-chloro-2-methylphenyl)-4-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 104667663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).