4-amino-N-(6-amino-2,2-dimethylhexyl)-N-(2-methylpropyl)benzenesulfonamide

C18H33N3O2S — CID 20706602

IUPAC4-amino-N-(6-amino-2,2-dimethylhexyl)-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CN(CC(C)(C)CCCCN)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C18H33N3O2S/c1-15(2)13-21(14-18(3,4)11-5-6-12-19)24(22,23)17-9-7-16(20)8-10-17/h7-10,15H,5-6,11-14,19-20H2,1-4H3
InChIKeyVSWKOAGLNAKEFA-UHFFFAOYSA-N
MW355.55 g/mol
LogP3.07
Rot. Bonds10

About 4-amino-N-(6-amino-2,2-dimethylhexyl)-N-(2-methylpropyl)benzenesulfonamide

4-amino-N-(6-amino-2,2-dimethylhexyl)-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 20706602) has the molecular formula C18H33N3O2S and a molecular weight of 355.55 g/mol. Its IUPAC name is 4-amino-N-(6-amino-2,2-dimethylhexyl)-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(6-amino-2,2-dimethylhexyl)-N-(2-methylpropyl)benzenesulfonamide
PubChem CID20706602
Molecular FormulaC18H33N3O2S
Molecular Weight355.55 g/mol
Exact Mass355.23
IUPAC Name4-amino-N-(6-amino-2,2-dimethylhexyl)-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CN(CC(C)(C)CCCCN)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C18H33N3O2S/c1-15(2)13-21(14-18(3,4)11-5-6-12-19)24(22,23)17-9-7-16(20)8-10-17/h7-10,15H,5-6,11-14,19-20H2,1-4H3
InChIKeyVSWKOAGLNAKEFA-UHFFFAOYSA-N
XLogP3.07
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.55
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(6-amino-2,2-dimethylhexyl)-N-(2-methylpropyl)benzenesulfonamide
CID 20706585
methyl N-[5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-4,4-dimethylpentyl]carbamate
CID 20706656
3-amino-N-(5-amino-2,2-dimethylpentyl)-N-ethylbenzenesulfonamide;ethane
CID 142012161
4-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 61140706
[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]-[(2S,3R)-4-[(6-amino-2,2-dimethylhexyl)-(4-aminophenyl)sulfonylamino]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid
CID 57365360
N-(5-cyano-2,2-dimethylpentyl)-N-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 59093387
propan-2-yl N-[5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-4,4-dimethylpentyl]carbamate
CID 20706645
ethyl 2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]acetate
CID 10663093
[(3aR,4S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[(6-amino-2,2-dimethylhexyl)-(4-aminophenyl)sulfonylamino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
CID 21356771
methyl 3-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]propanoate
CID 61114911
4-amino-N-[(3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)benzenesulfonamide
CID 46780138
4-amino-N-(3,3-dimethylbutyl)-N-propylbenzenesulfonamide
CID 163733068

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(6-amino-2,2-dimethylhexyl)-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(6-amino-2,2-dimethylhexyl)-N-(2-methylpropyl)benzenesulfonamide (CID 20706602) is 4-amino-N-(6-amino-2,2-dimethylhexyl)-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(6-amino-2,2-dimethylhexyl)-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(6-amino-2,2-dimethylhexyl)-N-(2-methylpropyl)benzenesulfonamide is CC(C)CN(CC(C)(C)CCCCN)S(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-(6-amino-2,2-dimethylhexyl)-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is VSWKOAGLNAKEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2S/c1-15(2)13-21(14-18(3,4)11-5-6-12-19)24(22,23)17-9-7-16(20)8-10-17/h7-10,15H,5-6,11-14,19-20H2,1-4H3.
What are the key properties of 4-amino-N-(6-amino-2,2-dimethylhexyl)-N-(2-methylpropyl)benzenesulfonamide?
4-amino-N-(6-amino-2,2-dimethylhexyl)-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 355.55 g/mol, XLogP of 3.07, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(6-amino-2,2-dimethylhexyl)-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 20706602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).