2-methyl-5-(pentylamino)benzenesulfonamide

C12H20N2O2S — CID 28653503

IUPAC2-methyl-5-(pentylamino)benzenesulfonamide
SMILESCCCCCNc1ccc(C)c(S(N)(=O)=O)c1
InChIInChI=1S/C12H20N2O2S/c1-3-4-5-8-14-11-7-6-10(2)12(9-11)17(13,15)16/h6-7,9,14H,3-5,8H2,1-2H3,(H2,13,15,16)
InChIKeyKQZBPEDWSHBWOM-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.24
Rot. Bonds6

About 2-methyl-5-(pentylamino)benzenesulfonamide

2-methyl-5-(pentylamino)benzenesulfonamide (PubChem CID 28653503) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-methyl-5-(pentylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-5-(pentylamino)benzenesulfonamide
PubChem CID28653503
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name2-methyl-5-(pentylamino)benzenesulfonamide
SMILESCCCCCNc1ccc(C)c(S(N)(=O)=O)c1
InChIInChI=1S/C12H20N2O2S/c1-3-4-5-8-14-11-7-6-10(2)12(9-11)17(13,15)16/h6-7,9,14H,3-5,8H2,1-2H3,(H2,13,15,16)
InChIKeyKQZBPEDWSHBWOM-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-5-(pentylamino)benzenesulfonamide
CID 143880253
2-methyl-5-(4-methylsulfanylbutylamino)benzenesulfonamide
CID 103087246
N-heptyl-3,4-dimethylaniline
CID 43129292
4-bromo-N-hexyl-3-methylaniline
CID 28877172
1-(pentylamino)-3-(sulfamoylamino)benzene
CID 43741926
tert-butyl N-[3-(4-methyl-3-sulfamoylanilino)propyl]carbamate
CID 103821639
N-decyl-3-fluoro-4-methylaniline
CID 63488478
3-iodo-4-methyl-N-octylaniline
CID 43716130
3-chloro-N-dodecyl-4-methylaniline
CID 63487569
3-(hexylamino)-2-methylbenzenesulfonamide
CID 54866925
N-[4-(butylamino)-2-methylphenyl]methanesulfonamide
CID 43741283
4-[[4-(octadecylamino)phenyl]diazenyl]benzenesulfonamide
CID 71335414

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(pentylamino)benzenesulfonamide?
The IUPAC name of 2-methyl-5-(pentylamino)benzenesulfonamide (CID 28653503) is 2-methyl-5-(pentylamino)benzenesulfonamide.
What is the SMILES notation for 2-methyl-5-(pentylamino)benzenesulfonamide?
The canonical SMILES for 2-methyl-5-(pentylamino)benzenesulfonamide is CCCCCNc1ccc(C)c(S(N)(=O)=O)c1.
What is the InChIKey of 2-methyl-5-(pentylamino)benzenesulfonamide?
The InChIKey is KQZBPEDWSHBWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-3-4-5-8-14-11-7-6-10(2)12(9-11)17(13,15)16/h6-7,9,14H,3-5,8H2,1-2H3,(H2,13,15,16).
What are the key properties of 2-methyl-5-(pentylamino)benzenesulfonamide?
2-methyl-5-(pentylamino)benzenesulfonamide has a molecular weight of 256.37 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(pentylamino)benzenesulfonamide is sourced from PubChem (CID 28653503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).