3-amino-5-methyl-N-(2-methylpropyl)benzenesulfonamide

C11H18N2O2S — CID 43255674

IUPAC3-amino-5-methyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NCC(C)C)c1
InChIInChI=1S/C11H18N2O2S/c1-8(2)7-13-16(14,15)11-5-9(3)4-10(12)6-11/h4-6,8,13H,7,12H2,1-3H3
InChIKeyIVRGNZREHMITJS-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.51
Rot. Bonds4

About 3-amino-5-methyl-N-(2-methylpropyl)benzenesulfonamide

3-amino-5-methyl-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 43255674) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 3-amino-5-methyl-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-methyl-N-(2-methylpropyl)benzenesulfonamide
PubChem CID43255674
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name3-amino-5-methyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NCC(C)C)c1
InChIInChI=1S/C11H18N2O2S/c1-8(2)7-13-16(14,15)11-5-9(3)4-10(12)6-11/h4-6,8,13H,7,12H2,1-3H3
InChIKeyIVRGNZREHMITJS-UHFFFAOYSA-N
XLogP1.51
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.51
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-N-[(2S)-2-hydroxypropyl]-5-methylbenzenesulfonamide
CID 93081254
3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-5-methylbenzenesulfonamide
CID 43256310
3-amino-N-[2-(methanesulfonamido)ethyl]-5-methylbenzenesulfonamide
CID 43545886
3-amino-5-methyl-N-pentylbenzenesulfonamide
CID 43256263
3-amino-5-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 113463608
3-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methylbenzenesulfonamide
CID 63862103
3-amino-N-[(2-ethylphenyl)methyl]-5-methylbenzenesulfonamide
CID 64682575
ethyl 2-[(3-amino-5-methylphenyl)sulfonylamino]propanoate
CID 61498508
3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylbenzenesulfonamide
CID 65246264
3-amino-5-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 43255883
3-[(3-amino-5-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 61126072
4-(4-methylphenyl)-N-(2-methylpropyl)benzenesulfonamide
CID 70038697

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 3-amino-5-methyl-N-(2-methylpropyl)benzenesulfonamide (CID 43255674) is 3-amino-5-methyl-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-methyl-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-methyl-N-(2-methylpropyl)benzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)NCC(C)C)c1.
What is the InChIKey of 3-amino-5-methyl-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is IVRGNZREHMITJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-8(2)7-13-16(14,15)11-5-9(3)4-10(12)6-11/h4-6,8,13H,7,12H2,1-3H3.
What are the key properties of 3-amino-5-methyl-N-(2-methylpropyl)benzenesulfonamide?
3-amino-5-methyl-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 242.34 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 43255674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).