N-(2-amino-1-cyclohexylethyl)-2-methyl-6-nitrobenzenesulfonamide;hydrochloride

C15H24ClN3O4S — CID 119983834

IUPACN-(2-amino-1-cyclohexylethyl)-2-methyl-6-nitrobenzenesulfonamide;hydrochloride
SMILESCc1cccc([N+](=O)[O-])c1S(=O)(=O)NC(CN)C1CCCCC1.Cl
InChIInChI=1S/C15H23N3O4S.ClH/c1-11-6-5-9-14(18(19)20)15(11)23(21,22)17-13(10-16)12-7-3-2-4-8-12;/h5-6,9,12-13,17H,2-4,7-8,10,16H2,1H3;1H
InChIKeyFLMVUESNFINJFI-UHFFFAOYSA-N
MW377.89 g/mol
LogP2.51
Rot. Bonds6

About N-(2-amino-1-cyclohexylethyl)-2-methyl-6-nitrobenzenesulfonamide;hydrochloride

N-(2-amino-1-cyclohexylethyl)-2-methyl-6-nitrobenzenesulfonamide;hydrochloride (PubChem CID 119983834) has the molecular formula C15H24ClN3O4S and a molecular weight of 377.89 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-2-methyl-6-nitrobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-2-methyl-6-nitrobenzenesulfonamide;hydrochloride
PubChem CID119983834
Molecular FormulaC15H24ClN3O4S
Molecular Weight377.89 g/mol
Exact Mass377.12
IUPAC NameN-(2-amino-1-cyclohexylethyl)-2-methyl-6-nitrobenzenesulfonamide;hydrochloride
SMILESCc1cccc([N+](=O)[O-])c1S(=O)(=O)NC(CN)C1CCCCC1.Cl
InChIInChI=1S/C15H23N3O4S.ClH/c1-11-6-5-9-14(18(19)20)15(11)23(21,22)17-13(10-16)12-7-3-2-4-8-12;/h5-6,9,12-13,17H,2-4,7-8,10,16H2,1H3;1H
InChIKeyFLMVUESNFINJFI-UHFFFAOYSA-N
XLogP2.51
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.89
LogP ≤ 52.51
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-1-cyclopentylethyl)-3,6-dimethyl-2-nitrobenzenesulfonamide;hydrochloride
CID 120713687
N-cyclopentyl-2-methyl-6-nitrobenzenesulfonamide
CID 47315253
N-(2-amino-1-cyclohexylethyl)-2-methyl-4-nitrobenzenesulfonamide;hydrochloride
CID 119983831
N-(2-amino-1-cyclopentylethyl)-4-nitrobenzenesulfonamide;hydrochloride
CID 86820092
2-cyclopropyl-2-[(2-methyl-6-nitrophenyl)sulfonylamino]acetic acid
CID 62695587
N-(2-amino-1-cyclohexylethyl)-3-methoxy-4-nitrobenzenesulfonamide;hydrochloride
CID 119983590
N-(2-amino-1-cyclopentylethyl)-2-bromo-3-methylbenzenesulfonamide;hydrochloride
CID 120585153
1-cyclopentyl-N-(2-methyl-3-nitrophenyl)ethane-1,2-diamine
CID 106738229
N-(1-aminohexan-2-yl)-2-methyl-6-nitrobenzenesulfonamide
CID 80696789
N-(2-amino-1-cyclohexylethyl)benzenesulfonamide
CID 61122381
N-(2-amino-1-cyclohexylethyl)-3-methoxy-4-nitrobenzenesulfonamide
CID 119983591
N-(2-amino-1-cyclopentylethyl)-7-nitro-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 120585219

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-methyl-6-nitrobenzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-methyl-6-nitrobenzenesulfonamide;hydrochloride (CID 119983834) is N-(2-amino-1-cyclohexylethyl)-2-methyl-6-nitrobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-2-methyl-6-nitrobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-2-methyl-6-nitrobenzenesulfonamide;hydrochloride is Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC(CN)C1CCCCC1.Cl.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-2-methyl-6-nitrobenzenesulfonamide;hydrochloride?
The InChIKey is FLMVUESNFINJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S.ClH/c1-11-6-5-9-14(18(19)20)15(11)23(21,22)17-13(10-16)12-7-3-2-4-8-12;/h5-6,9,12-13,17H,2-4,7-8,10,16H2,1H3;1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-2-methyl-6-nitrobenzenesulfonamide;hydrochloride?
N-(2-amino-1-cyclohexylethyl)-2-methyl-6-nitrobenzenesulfonamide;hydrochloride has a molecular weight of 377.89 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-2-methyl-6-nitrobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119983834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).