2-amino-6-chloro-N-(2,2-dimethylbutyl)benzenesulfonamide

C12H19ClN2O2S — CID 103460070

IUPAC2-amino-6-chloro-N-(2,2-dimethylbutyl)benzenesulfonamide
SMILESCCC(C)(C)CNS(=O)(=O)c1c(N)cccc1Cl
InChIInChI=1S/C12H19ClN2O2S/c1-4-12(2,3)8-15-18(16,17)11-9(13)6-5-7-10(11)14/h5-7,15H,4,8,14H2,1-3H3
InChIKeyQKVIJBHDXVVKOU-UHFFFAOYSA-N
MW290.82 g/mol
LogP2.64
Rot. Bonds5

About 2-amino-6-chloro-N-(2,2-dimethylbutyl)benzenesulfonamide

2-amino-6-chloro-N-(2,2-dimethylbutyl)benzenesulfonamide (PubChem CID 103460070) has the molecular formula C12H19ClN2O2S and a molecular weight of 290.82 g/mol. Its IUPAC name is 2-amino-6-chloro-N-(2,2-dimethylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-(2,2-dimethylbutyl)benzenesulfonamide
PubChem CID103460070
Molecular FormulaC12H19ClN2O2S
Molecular Weight290.82 g/mol
Exact Mass290.09
IUPAC Name2-amino-6-chloro-N-(2,2-dimethylbutyl)benzenesulfonamide
SMILESCCC(C)(C)CNS(=O)(=O)c1c(N)cccc1Cl
InChIInChI=1S/C12H19ClN2O2S/c1-4-12(2,3)8-15-18(16,17)11-9(13)6-5-7-10(11)14/h5-7,15H,4,8,14H2,1-3H3
InChIKeyQKVIJBHDXVVKOU-UHFFFAOYSA-N
XLogP2.64
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 52.64
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

2-amino-6-chloro-N-octylbenzenesulfonamide
CID 115565998
2-amino-6-chloro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106333183
2,6-dichloro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65113165
2-amino-6-chloro-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide
CID 106284162
2-amino-6-chloro-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 79756335
2-amino-6-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 106103895
2-amino-6-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 62842731
2-amino-6-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 80681368
2-amino-6-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide
CID 62977744
2-amino-6-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 107213648
2-amino-N-(2,2-dimethylbutyl)-4-fluorobenzenesulfonamide
CID 103460021
N-(2-amino-2-methylpropyl)-2-chloro-6-nitrobenzenesulfonamide
CID 119988199

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-(2,2-dimethylbutyl)benzenesulfonamide?
The IUPAC name of 2-amino-6-chloro-N-(2,2-dimethylbutyl)benzenesulfonamide (CID 103460070) is 2-amino-6-chloro-N-(2,2-dimethylbutyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-6-chloro-N-(2,2-dimethylbutyl)benzenesulfonamide?
The canonical SMILES for 2-amino-6-chloro-N-(2,2-dimethylbutyl)benzenesulfonamide is CCC(C)(C)CNS(=O)(=O)c1c(N)cccc1Cl.
What is the InChIKey of 2-amino-6-chloro-N-(2,2-dimethylbutyl)benzenesulfonamide?
The InChIKey is QKVIJBHDXVVKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2S/c1-4-12(2,3)8-15-18(16,17)11-9(13)6-5-7-10(11)14/h5-7,15H,4,8,14H2,1-3H3.
What are the key properties of 2-amino-6-chloro-N-(2,2-dimethylbutyl)benzenesulfonamide?
2-amino-6-chloro-N-(2,2-dimethylbutyl)benzenesulfonamide has a molecular weight of 290.82 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-(2,2-dimethylbutyl)benzenesulfonamide is sourced from PubChem (CID 103460070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).