2-amino-4,6-dichloro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide

C12H17Cl2N3O2S — CID 62636292

IUPAC2-amino-4,6-dichloro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESNc1cc(Cl)cc(Cl)c1S(=O)(=O)NCCN1CCCC1
InChIInChI=1S/C12H17Cl2N3O2S/c13-9-7-10(14)12(11(15)8-9)20(18,19)16-3-6-17-4-1-2-5-17/h7-8,16H,1-6,15H2
InChIKeyYKVHZIFEKXVADN-UHFFFAOYSA-N
MW338.26 g/mol
LogP1.95
Rot. Bonds5

About 2-amino-4,6-dichloro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide

2-amino-4,6-dichloro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide (PubChem CID 62636292) has the molecular formula C12H17Cl2N3O2S and a molecular weight of 338.26 g/mol. Its IUPAC name is 2-amino-4,6-dichloro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dichloro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
PubChem CID62636292
Molecular FormulaC12H17Cl2N3O2S
Molecular Weight338.26 g/mol
Exact Mass337.04
IUPAC Name2-amino-4,6-dichloro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESNc1cc(Cl)cc(Cl)c1S(=O)(=O)NCCN1CCCC1
InChIInChI=1S/C12H17Cl2N3O2S/c13-9-7-10(14)12(11(15)8-9)20(18,19)16-3-6-17-4-1-2-5-17/h7-8,16H,1-6,15H2
InChIKeyYKVHZIFEKXVADN-UHFFFAOYSA-N
XLogP1.95
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.26
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-4,6-dichlorobenzene-1-sulfonamide
CID 3021430
2-amino-4,6-dichloro-N-[1,1,1-trifluoro-3-(6-fluoro-3-methyl-3a,7a-dihydroindol-1-yl)propan-2-yl]benzenesulfonamide
CID 89126480
2-amino-4,6-dichloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 43256483
2-amino-4,6-dichloro-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 55173779
2-amino-4,6-dichloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60891162
2-amino-4,6-dichloro-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61105300
2-amino-4,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61109751
2-amino-4,6-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61602724
2-amino-4,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61602728
2-amino-N-butyl-6-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61892675
2-amino-4,6-dichloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 65536140
2-amino-4,6-dichloro-N-(4,4,4-trifluorobutan-2-yl)benzenesulfonamide
CID 105926794

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dichloro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 2-amino-4,6-dichloro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide (CID 62636292) is 2-amino-4,6-dichloro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dichloro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dichloro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide is Nc1cc(Cl)cc(Cl)c1S(=O)(=O)NCCN1CCCC1.
What is the InChIKey of 2-amino-4,6-dichloro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The InChIKey is YKVHZIFEKXVADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N3O2S/c13-9-7-10(14)12(11(15)8-9)20(18,19)16-3-6-17-4-1-2-5-17/h7-8,16H,1-6,15H2.
What are the key properties of 2-amino-4,6-dichloro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
2-amino-4,6-dichloro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide has a molecular weight of 338.26 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dichloro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 62636292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).