N-(2-amino-2-ethylbutyl)-2,4-dimethyl-5-nitrobenzenesulfonamide;hydrochloride

C14H24ClN3O4S — CID 120711867

IUPACN-(2-amino-2-ethylbutyl)-2,4-dimethyl-5-nitrobenzenesulfonamide;hydrochloride
SMILESCCC(N)(CC)CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C.Cl
InChIInChI=1S/C14H23N3O4S.ClH/c1-5-14(15,6-2)9-16-22(20,21)13-8-12(17(18)19)10(3)7-11(13)4;/h7-8,16H,5-6,9,15H2,1-4H3;1H
InChIKeyXUTBKPCEOHVXNK-UHFFFAOYSA-N
MW365.88 g/mol
LogP2.43
Rot. Bonds7

About N-(2-amino-2-ethylbutyl)-2,4-dimethyl-5-nitrobenzenesulfonamide;hydrochloride

N-(2-amino-2-ethylbutyl)-2,4-dimethyl-5-nitrobenzenesulfonamide;hydrochloride (PubChem CID 120711867) has the molecular formula C14H24ClN3O4S and a molecular weight of 365.88 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2,4-dimethyl-5-nitrobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2,4-dimethyl-5-nitrobenzenesulfonamide;hydrochloride
PubChem CID120711867
Molecular FormulaC14H24ClN3O4S
Molecular Weight365.88 g/mol
Exact Mass365.12
IUPAC NameN-(2-amino-2-ethylbutyl)-2,4-dimethyl-5-nitrobenzenesulfonamide;hydrochloride
SMILESCCC(N)(CC)CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C.Cl
InChIInChI=1S/C14H23N3O4S.ClH/c1-5-14(15,6-2)9-16-22(20,21)13-8-12(17(18)19)10(3)7-11(13)4;/h7-8,16H,5-6,9,15H2,1-4H3;1H
InChIKeyXUTBKPCEOHVXNK-UHFFFAOYSA-N
XLogP2.43
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.88
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-ethylbutyl)-3-methyl-4-nitrobenzenesulfonamide;hydrochloride
CID 119990091
N-(2-amino-2-ethylbutyl)-2-methyl-5-nitrobenzenesulfonamide;hydrochloride
CID 119989671
N-(2-amino-2-ethylbutyl)-2-methyl-5-nitrobenzenesulfonamide
CID 115305944
N-(2-amino-2-ethylbutyl)-7-nitro-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 119989836
N-(1-amino-2-methylpropan-2-yl)-2,4-dimethyl-5-nitrobenzenesulfonamide
CID 120709178
N-(2-amino-2-methylpropyl)-4-methyl-3-nitrobenzenesulfonamide;hydrochloride
CID 119988333
4-amino-N-(2-methoxy-2-methylpropyl)-2-methyl-5-nitrobenzenesulfonamide
CID 104765425
N-(2-amino-2-phenylethyl)-2,4-dimethyl-5-nitrobenzenesulfonamide;hydrochloride
CID 120709313
N-(2-amino-2-ethylbutyl)-4-fluoro-2-methylbenzenesulfonamide;hydrochloride
CID 119990013
N-(2-amino-2-ethylbutyl)-4-hydroxy-3-nitrobenzenesulfonamide
CID 115306079
N-(2-amino-2-ethylbutyl)-5-bromo-2-methylbenzenesulfonamide
CID 115306000
N-(2-amino-2-ethylbutyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride
CID 120711916

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2,4-dimethyl-5-nitrobenzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2,4-dimethyl-5-nitrobenzenesulfonamide;hydrochloride (CID 120711867) is N-(2-amino-2-ethylbutyl)-2,4-dimethyl-5-nitrobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2,4-dimethyl-5-nitrobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2,4-dimethyl-5-nitrobenzenesulfonamide;hydrochloride is CCC(N)(CC)CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2,4-dimethyl-5-nitrobenzenesulfonamide;hydrochloride?
The InChIKey is XUTBKPCEOHVXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4S.ClH/c1-5-14(15,6-2)9-16-22(20,21)13-8-12(17(18)19)10(3)7-11(13)4;/h7-8,16H,5-6,9,15H2,1-4H3;1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-2,4-dimethyl-5-nitrobenzenesulfonamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-2,4-dimethyl-5-nitrobenzenesulfonamide;hydrochloride has a molecular weight of 365.88 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-2,4-dimethyl-5-nitrobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120711867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).