(2S)-1-(4-chlorophenyl)sulfonyl-N-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

C14H16ClN3O3S2 — CID 2574002

IUPAC(2S)-1-(4-chlorophenyl)sulfonyl-N-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESO=C(NC1=NCCS1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN3O3S2/c15-10-3-5-11(6-4-10)23(20,21)18-8-1-2-12(18)13(19)17-14-16-7-9-22-14/h3-6,12H,1-2,7-9H2,(H,16,17,19)/t12-/m0/s1
InChIKeyOVJVQGJWVKAPEE-LBPRGKRZSA-N
MW373.89 g/mol
LogP1.71
Rot. Bonds3

About (2S)-1-(4-chlorophenyl)sulfonyl-N-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

(2S)-1-(4-chlorophenyl)sulfonyl-N-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 2574002) has the molecular formula C14H16ClN3O3S2 and a molecular weight of 373.89 g/mol. Its IUPAC name is (2S)-1-(4-chlorophenyl)sulfonyl-N-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(4-chlorophenyl)sulfonyl-N-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
PubChem CID2574002
Molecular FormulaC14H16ClN3O3S2
Molecular Weight373.89 g/mol
Exact Mass373.03
IUPAC Name(2S)-1-(4-chlorophenyl)sulfonyl-N-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESO=C(NC1=NCCS1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN3O3S2/c15-10-3-5-11(6-4-10)23(20,21)18-8-1-2-12(18)13(19)17-14-16-7-9-22-14/h3-6,12H,1-2,7-9H2,(H,16,17,19)/t12-/m0/s1
InChIKeyOVJVQGJWVKAPEE-LBPRGKRZSA-N
XLogP1.71
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.89
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-chlorophenyl)sulfonyl-N-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(4-chlorophenyl)sulfonyl-N-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (CID 2574002) is (2S)-1-(4-chlorophenyl)sulfonyl-N-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(4-chlorophenyl)sulfonyl-N-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(4-chlorophenyl)sulfonyl-N-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is O=C(NC1=NCCS1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-1-(4-chlorophenyl)sulfonyl-N-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is OVJVQGJWVKAPEE-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16ClN3O3S2/c15-10-3-5-11(6-4-10)23(20,21)18-8-1-2-12(18)13(19)17-14-16-7-9-22-14/h3-6,12H,1-2,7-9H2,(H,16,17,19)/t12-/m0/s1.
What are the key properties of (2S)-1-(4-chlorophenyl)sulfonyl-N-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
(2S)-1-(4-chlorophenyl)sulfonyl-N-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 373.89 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-chlorophenyl)sulfonyl-N-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 2574002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).