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

C13H14ClN3O2S2 — CID 2998200

IUPAC4-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazol-2-amine
SMILESNc1nc(C2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cs1
InChIInChI=1S/C13H14ClN3O2S2/c14-9-3-5-10(6-4-9)21(18,19)17-7-1-2-12(17)11-8-20-13(15)16-11/h3-6,8,12H,1-2,7H2,(H2,15,16)
InChIKeyVCWXNYKJWJLNSS-UHFFFAOYSA-N
MW343.86 g/mol
LogP2.90
Rot. Bonds3

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

4-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazol-2-amine (PubChem CID 2998200) has the molecular formula C13H14ClN3O2S2 and a molecular weight of 343.86 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazol-2-amine
PubChem CID2998200
Molecular FormulaC13H14ClN3O2S2
Molecular Weight343.86 g/mol
Exact Mass343.02
IUPAC Name4-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazol-2-amine
SMILESNc1nc(C2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cs1
InChIInChI=1S/C13H14ClN3O2S2/c14-9-3-5-10(6-4-9)21(18,19)17-7-1-2-12(17)11-8-20-13(15)16-11/h3-6,8,12H,1-2,7H2,(H2,15,16)
InChIKeyVCWXNYKJWJLNSS-UHFFFAOYSA-N
XLogP2.90
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 847131
4-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1-sulfonamide
CID 23603416
4-chloro-N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}benzenesulfonamide
CID 2738778
N-(4-{1-[(4-chlorophenyl)sulfonyl]-2-pyrrolidinyl}-1,3-thiazol-2-yl)-2,2-dimethylpropanamide
CID 4455050
4-{[(4-Chlorophenyl)sulfonyl]methyl}-1,3-thiazol-2-amine
CID 750249
3-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 838729
4-chloro-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 1540805
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide
CID 2554548
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-fluorobenzenesulfonamide
CID 8005369
4-chloro-2-fluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 8603551
4-[1-(4-Fluorophenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazol-2-amine
CID 16768923
4-chloro-2-fluoro-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 60333437

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazol-2-amine (CID 2998200) is 4-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazol-2-amine is Nc1nc(C2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cs1.
What is the InChIKey of 4-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazol-2-amine?
The InChIKey is VCWXNYKJWJLNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S2/c14-9-3-5-10(6-4-9)21(18,19)17-7-1-2-12(17)11-8-20-13(15)16-11/h3-6,8,12H,1-2,7H2,(H2,15,16).
What are the key properties of 4-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazol-2-amine?
4-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazol-2-amine has a molecular weight of 343.86 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 2998200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).