3-amino-5-chloro-N-ethyl-N-(2-ethylbutyl)-2-methylbenzenesulfonamide

C15H25ClN2O2S — CID 114378979

IUPAC3-amino-5-chloro-N-ethyl-N-(2-ethylbutyl)-2-methylbenzenesulfonamide
SMILESCCC(CC)CN(CC)S(=O)(=O)c1cc(Cl)cc(N)c1C
InChIInChI=1S/C15H25ClN2O2S/c1-5-12(6-2)10-18(7-3)21(19,20)15-9-13(16)8-14(17)11(15)4/h8-9,12H,5-7,10,17H2,1-4H3
InChIKeyHPTMRTQZZOHUKK-UHFFFAOYSA-N
MW332.90 g/mol
LogP3.68
Rot. Bonds7

About 3-amino-5-chloro-N-ethyl-N-(2-ethylbutyl)-2-methylbenzenesulfonamide

3-amino-5-chloro-N-ethyl-N-(2-ethylbutyl)-2-methylbenzenesulfonamide (PubChem CID 114378979) has the molecular formula C15H25ClN2O2S and a molecular weight of 332.90 g/mol. Its IUPAC name is 3-amino-5-chloro-N-ethyl-N-(2-ethylbutyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-N-ethyl-N-(2-ethylbutyl)-2-methylbenzenesulfonamide
PubChem CID114378979
Molecular FormulaC15H25ClN2O2S
Molecular Weight332.90 g/mol
Exact Mass332.13
IUPAC Name3-amino-5-chloro-N-ethyl-N-(2-ethylbutyl)-2-methylbenzenesulfonamide
SMILESCCC(CC)CN(CC)S(=O)(=O)c1cc(Cl)cc(N)c1C
InChIInChI=1S/C15H25ClN2O2S/c1-5-12(6-2)10-18(7-3)21(19,20)15-9-13(16)8-14(17)11(15)4/h8-9,12H,5-7,10,17H2,1-4H3
InChIKeyHPTMRTQZZOHUKK-UHFFFAOYSA-N
XLogP3.68
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.90
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-bromo-5-chloro-N-ethyl-N-(2-ethylbutyl)benzenesulfonamide
CID 62956358
2-amino-4-chloro-N-ethyl-N-(2-ethylbutyl)benzenesulfonamide
CID 43587327
3-amino-5-chloro-N-(cyclobutylmethyl)-N-ethyl-2-methylbenzenesulfonamide
CID 107396992
3-amino-N-ethyl-2,5-dimethyl-N-(2-methylbutyl)benzenesulfonamide
CID 79889083
3-amino-5-chloro-N-ethyl-2-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 114379149
3-amino-N-butan-2-yl-5-chloro-N-(2-methoxyethyl)-2-methylbenzenesulfonamide
CID 114379391
3-amino-5-chloro-N-(2-hydroxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 114378967
3-amino-5-chloro-N-cyclohexyl-N-ethyl-2-methylbenzenesulfonamide
CID 114378564
3-amino-5-chloro-N,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 114380323
2-[(3-amino-5-chloro-2-methylphenyl)sulfonyl-methylamino]acetamide
CID 114378855
ethyl 2-[(3-amino-5-chloro-2-methylphenyl)sulfonyl-methylamino]acetate
CID 114379371
3-amino-5-chloro-N-cyclobutyl-N,2-dimethylbenzenesulfonamide
CID 114380287

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-N-ethyl-N-(2-ethylbutyl)-2-methylbenzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-N-ethyl-N-(2-ethylbutyl)-2-methylbenzenesulfonamide (CID 114378979) is 3-amino-5-chloro-N-ethyl-N-(2-ethylbutyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-N-ethyl-N-(2-ethylbutyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-N-ethyl-N-(2-ethylbutyl)-2-methylbenzenesulfonamide is CCC(CC)CN(CC)S(=O)(=O)c1cc(Cl)cc(N)c1C.
What is the InChIKey of 3-amino-5-chloro-N-ethyl-N-(2-ethylbutyl)-2-methylbenzenesulfonamide?
The InChIKey is HPTMRTQZZOHUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O2S/c1-5-12(6-2)10-18(7-3)21(19,20)15-9-13(16)8-14(17)11(15)4/h8-9,12H,5-7,10,17H2,1-4H3.
What are the key properties of 3-amino-5-chloro-N-ethyl-N-(2-ethylbutyl)-2-methylbenzenesulfonamide?
3-amino-5-chloro-N-ethyl-N-(2-ethylbutyl)-2-methylbenzenesulfonamide has a molecular weight of 332.90 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-N-ethyl-N-(2-ethylbutyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 114378979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).