N-(4-methyl-1,3-thiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide

C15H17N3O3S2 — CID 2679326

IUPACN-(4-methyl-1,3-thiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCc1csc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1
InChIInChI=1S/C15H17N3O3S2/c1-11-10-22-15(16-11)17-14(19)12-4-6-13(7-5-12)23(20,21)18-8-2-3-9-18/h4-7,10H,2-3,8-9H2,1H3,(H,16,17,19)
InChIKeyRPRQKSNAWCTPQU-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.49
Rot. Bonds4

About N-(4-methyl-1,3-thiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide

N-(4-methyl-1,3-thiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 2679326) has the molecular formula C15H17N3O3S2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID2679326
Molecular FormulaC15H17N3O3S2
Molecular Weight351.45 g/mol
Exact Mass351.07
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCc1csc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1
InChIInChI=1S/C15H17N3O3S2/c1-11-10-22-15(16-11)17-14(19)12-4-6-13(7-5-12)23(20,21)18-8-2-3-9-18/h4-7,10H,2-3,8-9H2,1H3,(H,16,17,19)
InChIKeyRPRQKSNAWCTPQU-UHFFFAOYSA-N
XLogP2.49
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide (CID 2679326) is N-(4-methyl-1,3-thiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide is Cc1csc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is RPRQKSNAWCTPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S2/c1-11-10-22-15(16-11)17-14(19)12-4-6-13(7-5-12)23(20,21)18-8-2-3-9-18/h4-7,10H,2-3,8-9H2,1H3,(H,16,17,19).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide?
N-(4-methyl-1,3-thiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 351.45 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2679326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).