3-amino-4-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide

C15H26N2O2S — CID 43587375

IUPAC3-amino-4-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc1N
InChIInChI=1S/C15H26N2O2S/c1-11(2)9-17(10-12(3)4)20(18,19)14-7-6-13(5)15(16)8-14/h6-8,11-12H,9-10,16H2,1-5H3
InChIKeyJGRLRZSSPPVXGZ-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.88
Rot. Bonds6

About 3-amino-4-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide

3-amino-4-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide (PubChem CID 43587375) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 3-amino-4-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
PubChem CID43587375
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name3-amino-4-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc1N
InChIInChI=1S/C15H26N2O2S/c1-11(2)9-17(10-12(3)4)20(18,19)14-7-6-13(5)15(16)8-14/h6-8,11-12H,9-10,16H2,1-5H3
InChIKeyJGRLRZSSPPVXGZ-UHFFFAOYSA-N
XLogP2.88
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4,5-dimethyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 43587373
4-(aminomethyl)-3-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 106919184
3-amino-N,4-dimethyl-N-(2-methylbutyl)benzenesulfonamide
CID 43295498
2-[(3-amino-4-methylphenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide
CID 61127922
3-amino-N-ethyl-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 61112335
4-cyano-3-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 106833094
3-amino-4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide
CID 61138875
2-[(3-amino-4-bromophenyl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 115328962
4-amino-N-[2-(dimethylamino)ethyl]-3-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 82845498
4-ethyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 19682262
4-[4-[bis(2-methylpropyl)sulfamoyl]phenoxy]-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 166402119
3,4-diamino-N-(2-hydroxy-4-phenylbutyl)-N-(2-methylpropyl)benzenesulfonamide
CID 174568827

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide (CID 43587375) is 3-amino-4-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc1N.
What is the InChIKey of 3-amino-4-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide?
The InChIKey is JGRLRZSSPPVXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-11(2)9-17(10-12(3)4)20(18,19)14-7-6-13(5)15(16)8-14/h6-8,11-12H,9-10,16H2,1-5H3.
What are the key properties of 3-amino-4-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide?
3-amino-4-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 43587375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).