3-amino-4,5-dimethyl-N,N-bis(2-methylpropyl)benzenesulfonamide

C16H28N2O2S — CID 43587373

IUPAC3-amino-4,5-dimethyl-N,N-bis(2-methylpropyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(CC(C)C)CC(C)C)cc(N)c1C
InChIInChI=1S/C16H28N2O2S/c1-11(2)9-18(10-12(3)4)21(19,20)15-7-13(5)14(6)16(17)8-15/h7-8,11-12H,9-10,17H2,1-6H3
InChIKeyPIFVXHHSRPITHC-UHFFFAOYSA-N
MW312.48 g/mol
LogP3.19
Rot. Bonds6

About 3-amino-4,5-dimethyl-N,N-bis(2-methylpropyl)benzenesulfonamide

3-amino-4,5-dimethyl-N,N-bis(2-methylpropyl)benzenesulfonamide (PubChem CID 43587373) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is 3-amino-4,5-dimethyl-N,N-bis(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4,5-dimethyl-N,N-bis(2-methylpropyl)benzenesulfonamide
PubChem CID43587373
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC Name3-amino-4,5-dimethyl-N,N-bis(2-methylpropyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(CC(C)C)CC(C)C)cc(N)c1C
InChIInChI=1S/C16H28N2O2S/c1-11(2)9-18(10-12(3)4)21(19,20)15-7-13(5)14(6)16(17)8-15/h7-8,11-12H,9-10,17H2,1-6H3
InChIKeyPIFVXHHSRPITHC-UHFFFAOYSA-N
XLogP3.19
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 53.19
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-N-(2-cyanoethyl)-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 61138618
3-amino-4-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 43587375
3-amino-N,N-bis(cyanomethyl)-4,5-dimethylbenzenesulfonamide
CID 29277771
3-amino-N-ethyl-4,5-dimethyl-N-propylbenzenesulfonamide
CID 43268301
2-[(3-amino-4,5-dimethylphenyl)sulfonyl-ethylamino]-N,N-dimethylacetamide
CID 43587581
3-amino-4,5-dimethyl-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide
CID 61116631
4-(aminomethyl)-3-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 106919184
2-[(3-amino-4,5-dimethylphenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 61114656
3-amino-N-(1-cyanopropan-2-yl)-N,4,5-trimethylbenzenesulfonamide
CID 55174714
3-amino-N-(2-cyanoethyl)-5-fluoro-4-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 116791637
3-amino-N-[3-(dimethylamino)propyl]-N,4,5-trimethylbenzenesulfonamide
CID 63695661
5-amino-N,N-bis(2-methylpropyl)pyridine-3-sulfonamide
CID 82222964

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,5-dimethyl-N,N-bis(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 3-amino-4,5-dimethyl-N,N-bis(2-methylpropyl)benzenesulfonamide (CID 43587373) is 3-amino-4,5-dimethyl-N,N-bis(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4,5-dimethyl-N,N-bis(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4,5-dimethyl-N,N-bis(2-methylpropyl)benzenesulfonamide is Cc1cc(S(=O)(=O)N(CC(C)C)CC(C)C)cc(N)c1C.
What is the InChIKey of 3-amino-4,5-dimethyl-N,N-bis(2-methylpropyl)benzenesulfonamide?
The InChIKey is PIFVXHHSRPITHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-11(2)9-18(10-12(3)4)21(19,20)15-7-13(5)14(6)16(17)8-15/h7-8,11-12H,9-10,17H2,1-6H3.
What are the key properties of 3-amino-4,5-dimethyl-N,N-bis(2-methylpropyl)benzenesulfonamide?
3-amino-4,5-dimethyl-N,N-bis(2-methylpropyl)benzenesulfonamide has a molecular weight of 312.48 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,5-dimethyl-N,N-bis(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 43587373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).