4-[1-(3,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazol-2-amine

C13H13Cl2N3O2S2 — CID 16768930

IUPAC4-[1-(3,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazol-2-amine
SMILESNc1nc(C2CCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C13H13Cl2N3O2S2/c14-9-4-3-8(6-10(9)15)22(19,20)18-5-1-2-12(18)11-7-21-13(16)17-11/h3-4,6-7,12H,1-2,5H2,(H2,16,17)
InChIKeyQKDLHWSMUJQOKG-UHFFFAOYSA-N
MW378.31 g/mol
LogP3.56
Rot. Bonds3

About 4-[1-(3,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazol-2-amine

4-[1-(3,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazol-2-amine (PubChem CID 16768930) has the molecular formula C13H13Cl2N3O2S2 and a molecular weight of 378.31 g/mol. Its IUPAC name is 4-[1-(3,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[1-(3,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazol-2-amine
PubChem CID16768930
Molecular FormulaC13H13Cl2N3O2S2
Molecular Weight378.31 g/mol
Exact Mass376.98
IUPAC Name4-[1-(3,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazol-2-amine
SMILESNc1nc(C2CCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C13H13Cl2N3O2S2/c14-9-4-3-8(6-10(9)15)22(19,20)18-5-1-2-12(18)11-7-21-13(16)17-11/h3-4,6-7,12H,1-2,5H2,(H2,16,17)
InChIKeyQKDLHWSMUJQOKG-UHFFFAOYSA-N
XLogP3.56
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.31
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[1-(benzenesulfonyl)pyrrolidin-2-yl]-2-methylpyrimidin-4-amine
CID 110091079
2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazole
CID 110750424
1-(3,4-dichlorophenyl)sulfonyl-2-(methoxymethyl)pyrrolidine
CID 3718020
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-2-chloroaniline
CID 115329759
2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)sulfonylaniline
CID 115329975
3-chloro-1-(3,4-dichlorophenyl)sulfonylpiperidine
CID 63397150
2-(3,4-dichlorophenyl)pyrrolidine-1-sulfonamide
CID 71889820
2-chloro-4-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]sulfonylbenzonitrile
CID 94025265
(2S)-2-(2-chlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine
CID 51856369
2-chloro-4-(2-ethylpyrrolidin-1-yl)sulfonylaniline
CID 113288410
5-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 53206219
(2S)-1-(3-chloro-4-fluorophenyl)sulfonyl-2-(3-fluorophenyl)pyrrolidine
CID 51856127

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[1-(3,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazol-2-amine (CID 16768930) is 4-[1-(3,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[1-(3,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[1-(3,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazol-2-amine is Nc1nc(C2CCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)cs1.
What is the InChIKey of 4-[1-(3,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazol-2-amine?
The InChIKey is QKDLHWSMUJQOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O2S2/c14-9-4-3-8(6-10(9)15)22(19,20)18-5-1-2-12(18)11-7-21-13(16)17-11/h3-4,6-7,12H,1-2,5H2,(H2,16,17).
What are the key properties of 4-[1-(3,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazol-2-amine?
4-[1-(3,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazol-2-amine has a molecular weight of 378.31 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 16768930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).