5-amino-2-methoxy-N,N-bis(2-methylpropyl)benzenesulfonamide

C15H26N2O3S — CID 43587371

IUPAC5-amino-2-methoxy-N,N-bis(2-methylpropyl)benzenesulfonamide
SMILESCOc1ccc(N)cc1S(=O)(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C15H26N2O3S/c1-11(2)9-17(10-12(3)4)21(18,19)15-8-13(16)6-7-14(15)20-5/h6-8,11-12H,9-10,16H2,1-5H3
InChIKeyAAKYSQQPCIPNQI-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.58
Rot. Bonds7

About 5-amino-2-methoxy-N,N-bis(2-methylpropyl)benzenesulfonamide

5-amino-2-methoxy-N,N-bis(2-methylpropyl)benzenesulfonamide (PubChem CID 43587371) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 5-amino-2-methoxy-N,N-bis(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-methoxy-N,N-bis(2-methylpropyl)benzenesulfonamide
PubChem CID43587371
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name5-amino-2-methoxy-N,N-bis(2-methylpropyl)benzenesulfonamide
SMILESCOc1ccc(N)cc1S(=O)(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C15H26N2O3S/c1-11(2)9-17(10-12(3)4)21(18,19)15-8-13(16)6-7-14(15)20-5/h6-8,11-12H,9-10,16H2,1-5H3
InChIKeyAAKYSQQPCIPNQI-UHFFFAOYSA-N
XLogP2.58
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-5-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 166187507
5-amino-2-ethyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 43587392
5-amino-N-butan-2-yl-N-ethyl-2-methoxybenzenesulfonamide
CID 43274191
5-amino-N-(2-hydroxyethyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 43577718
4-amino-2-bromo-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 43587401
5-amino-N-ethyl-2,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide
CID 102945892
(E)-3-[3-[bis(2-methylpropyl)sulfamoyl]-4-methoxyphenyl]prop-2-enoic acid
CID 9160655
5-amino-N-(2-cyanoethyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 43577677
5-amino-N-ethyl-2-methoxy-4-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 79973709
5-amino-2-methoxy-N-(5-methylhexyl)benzenesulfonamide
CID 115324528
2-[(5-amino-2-methylphenyl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 61115794
5-amino-2-methoxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 62635958

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methoxy-N,N-bis(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-methoxy-N,N-bis(2-methylpropyl)benzenesulfonamide (CID 43587371) is 5-amino-2-methoxy-N,N-bis(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-methoxy-N,N-bis(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-methoxy-N,N-bis(2-methylpropyl)benzenesulfonamide is COc1ccc(N)cc1S(=O)(=O)N(CC(C)C)CC(C)C.
What is the InChIKey of 5-amino-2-methoxy-N,N-bis(2-methylpropyl)benzenesulfonamide?
The InChIKey is AAKYSQQPCIPNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-11(2)9-17(10-12(3)4)21(18,19)15-8-13(16)6-7-14(15)20-5/h6-8,11-12H,9-10,16H2,1-5H3.
What are the key properties of 5-amino-2-methoxy-N,N-bis(2-methylpropyl)benzenesulfonamide?
5-amino-2-methoxy-N,N-bis(2-methylpropyl)benzenesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methoxy-N,N-bis(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 43587371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).