2-[[(3R)-1-ethylpyrrolidin-3-yl]amino]benzenesulfonamide

C12H19N3O2S — CID 141356617

IUPAC2-[[(3R)-1-ethylpyrrolidin-3-yl]amino]benzenesulfonamide
SMILESCCN1CC[C@@H](Nc2ccccc2S(N)(=O)=O)C1
InChIInChI=1S/C12H19N3O2S/c1-2-15-8-7-10(9-15)14-11-5-3-4-6-12(11)18(13,16)17/h3-6,10,14H,2,7-9H2,1H3,(H2,13,16,17)/t10-/m1/s1
InChIKeyFSQKQCWZHPGBKX-SNVBAGLBSA-N
MW269.37 g/mol
LogP0.84
Rot. Bonds4

About 2-[[(3R)-1-ethylpyrrolidin-3-yl]amino]benzenesulfonamide

2-[[(3R)-1-ethylpyrrolidin-3-yl]amino]benzenesulfonamide (PubChem CID 141356617) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-[[(3R)-1-ethylpyrrolidin-3-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name2-[[(3R)-1-ethylpyrrolidin-3-yl]amino]benzenesulfonamide
PubChem CID141356617
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name2-[[(3R)-1-ethylpyrrolidin-3-yl]amino]benzenesulfonamide
SMILESCCN1CC[C@@H](Nc2ccccc2S(N)(=O)=O)C1
InChIInChI=1S/C12H19N3O2S/c1-2-15-8-7-10(9-15)14-11-5-3-4-6-12(11)18(13,16)17/h3-6,10,14H,2,7-9H2,1H3,(H2,13,16,17)/t10-/m1/s1
InChIKeyFSQKQCWZHPGBKX-SNVBAGLBSA-N
XLogP0.84
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-N-cyclohexyl-N-methylbenzenesulfonamide
CID 116814
4-(Piperazin-1-yl)benzene-1-sulfonamide
CID 901897
Benzenesulfonamide, 2-amino-N-ethyl-N-phenyl-
CID 66472
Thiol-arylsulfonamide, 16b
CID 25138249
3-amino-4-(cyclopentylamino)-N-ethylbenzenesulfonamide
CID 121334950
2-(Methylamino)benzene-1-sulfonamide
CID 12528494
Benzenesulfonamide, 2-amino-N-cyclohexyl-N-ethyl-
CID 86459
2-Amino-N-(2-sulfamoyl-phenyl)-acetamide
CID 10537366
2-Methylamino-N-(2-sulfamoyl-phenyl)-acetamide
CID 10728925
4-(Allylamino)Benzenesulfonamide
CID 62141270
4-(2-Fluoropropylamino)Benzenesulfonamide
CID 71578980
3-Piperazin-1-ylbenzenesulfonamide;hydrochloride
CID 16189246

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-1-ethylpyrrolidin-3-yl]amino]benzenesulfonamide?
The IUPAC name of 2-[[(3R)-1-ethylpyrrolidin-3-yl]amino]benzenesulfonamide (CID 141356617) is 2-[[(3R)-1-ethylpyrrolidin-3-yl]amino]benzenesulfonamide.
What is the SMILES notation for 2-[[(3R)-1-ethylpyrrolidin-3-yl]amino]benzenesulfonamide?
The canonical SMILES for 2-[[(3R)-1-ethylpyrrolidin-3-yl]amino]benzenesulfonamide is CCN1CC[C@@H](Nc2ccccc2S(N)(=O)=O)C1.
What is the InChIKey of 2-[[(3R)-1-ethylpyrrolidin-3-yl]amino]benzenesulfonamide?
The InChIKey is FSQKQCWZHPGBKX-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-2-15-8-7-10(9-15)14-11-5-3-4-6-12(11)18(13,16)17/h3-6,10,14H,2,7-9H2,1H3,(H2,13,16,17)/t10-/m1/s1.
What are the key properties of 2-[[(3R)-1-ethylpyrrolidin-3-yl]amino]benzenesulfonamide?
2-[[(3R)-1-ethylpyrrolidin-3-yl]amino]benzenesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-1-ethylpyrrolidin-3-yl]amino]benzenesulfonamide is sourced from PubChem (CID 141356617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).