4-amino-N-methyl-N-propan-2-ylbenzenesulfonamide

C10H16N2O2S — CID 2081013

IUPAC4-amino-N-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C10H16N2O2S/c1-8(2)12(3)15(13,14)10-6-4-9(11)5-7-10/h4-8H,11H2,1-3H3
InChIKeyBKKBUSJNRXXHSX-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.30
Rot. Bonds3

About 4-amino-N-methyl-N-propan-2-ylbenzenesulfonamide

4-amino-N-methyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 2081013) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 4-amino-N-methyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-propan-2-ylbenzenesulfonamide
PubChem CID2081013
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name4-amino-N-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C10H16N2O2S/c1-8(2)12(3)15(13,14)10-6-4-9(11)5-7-10/h4-8H,11H2,1-3H3
InChIKeyBKKBUSJNRXXHSX-UHFFFAOYSA-N
XLogP1.30
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.30
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

Sulfanilamide
CID 5333
Sulfacetamide
CID 5320
Asulam
CID 18752
Carbutamide
CID 9564
Sulfaguanidine
CID 5324
Sulfacarbamide
CID 11033
Sodium sulfanilate
CID 23664644
2-Aminobenzenesulfonamide
CID 72894
Benzenesulfonamide, 3-amino-
CID 7377
Sulfathiourea
CID 3000579
Asulam-sodium
CID 13389335
Sulfacetamide Sodium
CID 6419954

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-amino-N-methyl-N-propan-2-ylbenzenesulfonamide (CID 2081013) is 4-amino-N-methyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-methyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-methyl-N-propan-2-ylbenzenesulfonamide is CC(C)N(C)S(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-methyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is BKKBUSJNRXXHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-8(2)12(3)15(13,14)10-6-4-9(11)5-7-10/h4-8H,11H2,1-3H3.
What are the key properties of 4-amino-N-methyl-N-propan-2-ylbenzenesulfonamide?
4-amino-N-methyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 228.32 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 2081013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).