2-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)-5-pyrrolidin-1-ylsulfonylbenzamide

C17H20ClN3O3S2 — CID 24575395

IUPAC2-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESCC(C)c1csc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)n1
InChIInChI=1S/C17H20ClN3O3S2/c1-11(2)15-10-25-17(19-15)20-16(22)13-9-12(5-6-14(13)18)26(23,24)21-7-3-4-8-21/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,19,20,22)
InChIKeyXLOQUGODWPFDCN-UHFFFAOYSA-N
MW413.95 g/mol
LogP3.96
Rot. Bonds5

About 2-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)-5-pyrrolidin-1-ylsulfonylbenzamide

2-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)-5-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 24575395) has the molecular formula C17H20ClN3O3S2 and a molecular weight of 413.95 g/mol. Its IUPAC name is 2-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)-5-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)-5-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID24575395
Molecular FormulaC17H20ClN3O3S2
Molecular Weight413.95 g/mol
Exact Mass413.06
IUPAC Name2-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESCC(C)c1csc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)n1
InChIInChI=1S/C17H20ClN3O3S2/c1-11(2)15-10-25-17(19-15)20-16(22)13-9-12(5-6-14(13)18)26(23,24)21-7-3-4-8-21/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,19,20,22)
InChIKeyXLOQUGODWPFDCN-UHFFFAOYSA-N
XLogP3.96
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 8762849
2-bromo-N-(4-methyl-1,3-thiazol-2-yl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26362599
2-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)-5-sulfanylbenzamide
CID 107025323
2-chloro-5-pyrrolidin-1-ylsulfonyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
CID 24611843
methyl (2R)-2-[(2-chloro-5-piperidin-1-ylsulfonylbenzoyl)amino]propanoate
CID 41130335
2-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 9301375
1-(4-methoxyphenyl)sulfonyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 46632633
2-chloro-N-[(1R)-1-pyridin-2-ylethyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 9362538
2-chloro-N-(4-methyl-1,2,4-triazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide
CID 75523542
2-chloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-piperidin-1-ylsulfonylbenzamide
CID 2174228
ethyl 2-[(2-chloro-5-piperidin-1-ylsulfonylbenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 26266863
2-chloro-N-[(1S)-1-phenylethyl]-5-piperidin-1-ylsulfonylbenzamide
CID 51421106

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)-5-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)-5-pyrrolidin-1-ylsulfonylbenzamide (CID 24575395) is 2-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)-5-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)-5-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)-5-pyrrolidin-1-ylsulfonylbenzamide is CC(C)c1csc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)n1.
What is the InChIKey of 2-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)-5-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is XLOQUGODWPFDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3S2/c1-11(2)15-10-25-17(19-15)20-16(22)13-9-12(5-6-14(13)18)26(23,24)21-7-3-4-8-21/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,19,20,22).
What are the key properties of 2-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)-5-pyrrolidin-1-ylsulfonylbenzamide?
2-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)-5-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 413.95 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)-5-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 24575395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).