2-amino-3-cyclopentylsulfanylbenzenesulfonamide

C11H16N2O2S2 — CID 112675204

IUPAC2-amino-3-cyclopentylsulfanylbenzenesulfonamide
SMILESNc1c(SC2CCCC2)cccc1S(N)(=O)=O
InChIInChI=1S/C11H16N2O2S2/c12-11-9(16-8-4-1-2-5-8)6-3-7-10(11)17(13,14)15/h3,6-8H,1-2,4-5,12H2,(H2,13,14,15)
InChIKeySAFCIVSEQKALKC-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.95
Rot. Bonds3

About 2-amino-3-cyclopentylsulfanylbenzenesulfonamide

2-amino-3-cyclopentylsulfanylbenzenesulfonamide (PubChem CID 112675204) has the molecular formula C11H16N2O2S2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-amino-3-cyclopentylsulfanylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-cyclopentylsulfanylbenzenesulfonamide
PubChem CID112675204
Molecular FormulaC11H16N2O2S2
Molecular Weight272.39 g/mol
Exact Mass272.07
IUPAC Name2-amino-3-cyclopentylsulfanylbenzenesulfonamide
SMILESNc1c(SC2CCCC2)cccc1S(N)(=O)=O
InChIInChI=1S/C11H16N2O2S2/c12-11-9(16-8-4-1-2-5-8)6-3-7-10(11)17(13,14)15/h3,6-8H,1-2,4-5,12H2,(H2,13,14,15)
InChIKeySAFCIVSEQKALKC-UHFFFAOYSA-N
XLogP1.95
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-5-(4-aminobenzene-1-sulfonyl)benzene-1-sulfonamide
CID 242460
2-(Propane-2-sulfonyl)aniline
CID 12646366
2-(Cyclopentylsulfonyl)benzenamine
CID 12646367
N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 969950
4-(Cyclopentanesulfonyl)aniline
CID 12958315
2-(2-Aminobenzenesulfonyl)acetonitrile
CID 53337160
2-(Cyclopropanesulfonyl)aniline
CID 59284599
2-(Propylsulphonyl)aniline
CID 3018670
Aminophenyl vinyl sulphone
CID 21901081
1-(Dimethylsulfamoylamino)-2-propan-2-ylsulfanylbenzene
CID 71851414
2-Fluoro-6-propylsulfonylaniline
CID 60783065
2-Fluoro-6-(propane-2-sulfonyl)-phenylamine
CID 67264214

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-cyclopentylsulfanylbenzenesulfonamide?
The IUPAC name of 2-amino-3-cyclopentylsulfanylbenzenesulfonamide (CID 112675204) is 2-amino-3-cyclopentylsulfanylbenzenesulfonamide.
What is the SMILES notation for 2-amino-3-cyclopentylsulfanylbenzenesulfonamide?
The canonical SMILES for 2-amino-3-cyclopentylsulfanylbenzenesulfonamide is Nc1c(SC2CCCC2)cccc1S(N)(=O)=O.
What is the InChIKey of 2-amino-3-cyclopentylsulfanylbenzenesulfonamide?
The InChIKey is SAFCIVSEQKALKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S2/c12-11-9(16-8-4-1-2-5-8)6-3-7-10(11)17(13,14)15/h3,6-8H,1-2,4-5,12H2,(H2,13,14,15).
What are the key properties of 2-amino-3-cyclopentylsulfanylbenzenesulfonamide?
2-amino-3-cyclopentylsulfanylbenzenesulfonamide has a molecular weight of 272.39 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-cyclopentylsulfanylbenzenesulfonamide is sourced from PubChem (CID 112675204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).