3-amino-5-methyl-N-pentylbenzenesulfonamide

C12H20N2O2S — CID 43256263

IUPAC3-amino-5-methyl-N-pentylbenzenesulfonamide
SMILESCCCCCNS(=O)(=O)c1cc(C)cc(N)c1
InChIInChI=1S/C12H20N2O2S/c1-3-4-5-6-14-17(15,16)12-8-10(2)7-11(13)9-12/h7-9,14H,3-6,13H2,1-2H3
InChIKeyHVIQUPWFMZTNLM-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.05
Rot. Bonds6

About 3-amino-5-methyl-N-pentylbenzenesulfonamide

3-amino-5-methyl-N-pentylbenzenesulfonamide (PubChem CID 43256263) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 3-amino-5-methyl-N-pentylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-methyl-N-pentylbenzenesulfonamide
PubChem CID43256263
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name3-amino-5-methyl-N-pentylbenzenesulfonamide
SMILESCCCCCNS(=O)(=O)c1cc(C)cc(N)c1
InChIInChI=1S/C12H20N2O2S/c1-3-4-5-6-14-17(15,16)12-8-10(2)7-11(13)9-12/h7-9,14H,3-6,13H2,1-2H3
InChIKeyHVIQUPWFMZTNLM-UHFFFAOYSA-N
XLogP2.05
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-5-methyl-N-pentylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-1-N,3-N-didodecylbenzene-1,3-disulfonamide
CID 91728635
3-amino-N-[2-(methanesulfonamido)ethyl]-5-methylbenzenesulfonamide
CID 43545886
N-(3-aminopropyl)-3,5-dimethylbenzenesulfonamide
CID 60777976
3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-5-methylbenzenesulfonamide
CID 43256310
3-amino-5-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43255674
N-butyl-3-(1,1-difluoroethyl)-5-methylbenzenesulfonamide
CID 154552104
3-amino-5-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 43255883
3-[(3-amino-5-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 61126072
3-amino-5-chloro-4-methyl-N-pentylbenzenesulfonamide
CID 29030378
4-amino-N-octadecylbenzenesulfonamide;hydrochloride
CID 45050161
3-amino-5-fluoro-N-hexyl-4-methylbenzenesulfonamide
CID 116791617
3-amino-5-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61460006

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-N-pentylbenzenesulfonamide?
The IUPAC name of 3-amino-5-methyl-N-pentylbenzenesulfonamide (CID 43256263) is 3-amino-5-methyl-N-pentylbenzenesulfonamide.
What is the SMILES notation for 3-amino-5-methyl-N-pentylbenzenesulfonamide?
The canonical SMILES for 3-amino-5-methyl-N-pentylbenzenesulfonamide is CCCCCNS(=O)(=O)c1cc(C)cc(N)c1.
What is the InChIKey of 3-amino-5-methyl-N-pentylbenzenesulfonamide?
The InChIKey is HVIQUPWFMZTNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-3-4-5-6-14-17(15,16)12-8-10(2)7-11(13)9-12/h7-9,14H,3-6,13H2,1-2H3.
What are the key properties of 3-amino-5-methyl-N-pentylbenzenesulfonamide?
3-amino-5-methyl-N-pentylbenzenesulfonamide has a molecular weight of 256.37 g/mol, XLogP of 2.05, 6 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-pentylbenzenesulfonamide is sourced from PubChem (CID 43256263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).