3-amino-4,5-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide

C16H28N2O2S — CID 102903371

IUPAC3-amino-4,5-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC(C(C)C)C(C)C)cc(N)c1C
InChIInChI=1S/C16H28N2O2S/c1-10(2)15(11(3)4)9-18-21(19,20)14-7-12(5)13(6)16(17)8-14/h7-8,10-11,15,18H,9,17H2,1-6H3
InChIKeyZTYRCMOMSJIGKV-UHFFFAOYSA-N
MW312.48 g/mol
LogP3.09
Rot. Bonds6

About 3-amino-4,5-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide

3-amino-4,5-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide (PubChem CID 102903371) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is 3-amino-4,5-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4,5-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
PubChem CID102903371
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC Name3-amino-4,5-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC(C(C)C)C(C)C)cc(N)c1C
InChIInChI=1S/C16H28N2O2S/c1-10(2)15(11(3)4)9-18-21(19,20)14-7-12(5)13(6)16(17)8-14/h7-8,10-11,15,18H,9,17H2,1-6H3
InChIKeyZTYRCMOMSJIGKV-UHFFFAOYSA-N
XLogP3.09
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-fluoro-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102903345
3-amino-N-(2-hydroxypropyl)-4,5-dimethylbenzenesulfonamide
CID 43498714
3-amino-N-[2-(2-hydroxyethyl)pentyl]-4,5-dimethylbenzenesulfonamide
CID 106113471
3-amino-4,5-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 43372033
3-amino-N-(5-hydroxy-4-methylpentyl)-4,5-dimethylbenzenesulfonamide
CID 106152997
3-amino-N-(cyclopentylmethyl)-4,5-dimethylbenzenesulfonamide
CID 43370956
3-amino-4-fluoro-5-methyl-N-(2-methylbutyl)benzenesulfonamide
CID 115421550
3-amino-N-[2-(2-hydroxyethoxy)ethyl]-4,5-dimethylbenzenesulfonamide
CID 62499253
3-amino-5-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43255674
6-amino-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 102903322
3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4,5-dimethylbenzenesulfonamide
CID 105413651
3-amino-N-[3-(2-hydroxyethoxy)propyl]-4,5-dimethylbenzenesulfonamide
CID 106308624

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,5-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide?
The IUPAC name of 3-amino-4,5-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide (CID 102903371) is 3-amino-4,5-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4,5-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4,5-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide is Cc1cc(S(=O)(=O)NCC(C(C)C)C(C)C)cc(N)c1C.
What is the InChIKey of 3-amino-4,5-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide?
The InChIKey is ZTYRCMOMSJIGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-10(2)15(11(3)4)9-18-21(19,20)14-7-12(5)13(6)16(17)8-14/h7-8,10-11,15,18H,9,17H2,1-6H3.
What are the key properties of 3-amino-4,5-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide?
3-amino-4,5-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide has a molecular weight of 312.48 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,5-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide is sourced from PubChem (CID 102903371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).