2-(6-amino-6-methylcyclohexa-2,4-dien-1-yl)-N-butylbenzenesulfonamide

C17H24N2O2S — CID 70083463

IUPAC2-(6-amino-6-methylcyclohexa-2,4-dien-1-yl)-N-butylbenzenesulfonamide
SMILESCCCCNS(=O)(=O)c1ccccc1C1C=CC=CC1(C)N
InChIInChI=1S/C17H24N2O2S/c1-3-4-13-19-22(20,21)16-11-6-5-9-14(16)15-10-7-8-12-17(15,2)18/h5-12,15,19H,3-4,13,18H2,1-2H3
InChIKeyWSLQELXZCCXBCJ-UHFFFAOYSA-N
MW320.46 g/mol
LogP2.69
Rot. Bonds6

About 2-(6-amino-6-methylcyclohexa-2,4-dien-1-yl)-N-butylbenzenesulfonamide

2-(6-amino-6-methylcyclohexa-2,4-dien-1-yl)-N-butylbenzenesulfonamide (PubChem CID 70083463) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is 2-(6-amino-6-methylcyclohexa-2,4-dien-1-yl)-N-butylbenzenesulfonamide.

Molecular Properties

Compound Name2-(6-amino-6-methylcyclohexa-2,4-dien-1-yl)-N-butylbenzenesulfonamide
PubChem CID70083463
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Name2-(6-amino-6-methylcyclohexa-2,4-dien-1-yl)-N-butylbenzenesulfonamide
SMILESCCCCNS(=O)(=O)c1ccccc1C1C=CC=CC1(C)N
InChIInChI=1S/C17H24N2O2S/c1-3-4-13-19-22(20,21)16-11-6-5-9-14(16)15-10-7-8-12-17(15,2)18/h5-12,15,19H,3-4,13,18H2,1-2H3
InChIKeyWSLQELXZCCXBCJ-UHFFFAOYSA-N
XLogP2.69
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-hydrazinylbenzenesulfonamide
CID 43454845
N-butyl-2-(furan-2-yl)benzenesulfonamide
CID 168525566
2-(ethylamino)-N-pentylbenzenesulfonamide
CID 62162464
N-butyl-2-(2-fluoro-1-hydroxypropyl)benzenesulfonamide
CID 174330760
N-butyl-2-(1,3-dioxoisoindol-2-yl)benzenesulfonamide
CID 168516960
N-butyl-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 60822753
2,3-dibromo-N-decylbenzenesulfonamide
CID 19782290
2,3-dibromo-N-octylbenzenesulfonamide
CID 19782260
2-amino-N-(3-hexoxypropyl)benzenesulfonamide
CID 58720589
N-(3-butoxypropyl)-2-methylsulfonylbenzenesulfonamide
CID 55559217
3-(butylsulfamoyl)thiophene-2-carboxylic acid
CID 17221125
N-butyl-2,5-dimethylbenzenesulfonamide
CID 2414109

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-6-methylcyclohexa-2,4-dien-1-yl)-N-butylbenzenesulfonamide?
The IUPAC name of 2-(6-amino-6-methylcyclohexa-2,4-dien-1-yl)-N-butylbenzenesulfonamide (CID 70083463) is 2-(6-amino-6-methylcyclohexa-2,4-dien-1-yl)-N-butylbenzenesulfonamide.
What is the SMILES notation for 2-(6-amino-6-methylcyclohexa-2,4-dien-1-yl)-N-butylbenzenesulfonamide?
The canonical SMILES for 2-(6-amino-6-methylcyclohexa-2,4-dien-1-yl)-N-butylbenzenesulfonamide is CCCCNS(=O)(=O)c1ccccc1C1C=CC=CC1(C)N.
What is the InChIKey of 2-(6-amino-6-methylcyclohexa-2,4-dien-1-yl)-N-butylbenzenesulfonamide?
The InChIKey is WSLQELXZCCXBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-3-4-13-19-22(20,21)16-11-6-5-9-14(16)15-10-7-8-12-17(15,2)18/h5-12,15,19H,3-4,13,18H2,1-2H3.
What are the key properties of 2-(6-amino-6-methylcyclohexa-2,4-dien-1-yl)-N-butylbenzenesulfonamide?
2-(6-amino-6-methylcyclohexa-2,4-dien-1-yl)-N-butylbenzenesulfonamide has a molecular weight of 320.46 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-6-methylcyclohexa-2,4-dien-1-yl)-N-butylbenzenesulfonamide is sourced from PubChem (CID 70083463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).