2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide

C16H18ClFN4O3S2 — CID 90619416

IUPAC2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide
SMILESO=C(CNS(=O)(=O)c1ccc(F)c(Cl)c1)NCC1CCCN1c1nccs1
InChIInChI=1S/C16H18ClFN4O3S2/c17-13-8-12(3-4-14(13)18)27(24,25)21-10-15(23)20-9-11-2-1-6-22(11)16-19-5-7-26-16/h3-5,7-8,11,21H,1-2,6,9-10H2,(H,20,23)
InChIKeyBGSLHYVWEQYEOH-UHFFFAOYSA-N
MW432.93 g/mol
LogP2.00
Rot. Bonds7

About 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide

2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide (PubChem CID 90619416) has the molecular formula C16H18ClFN4O3S2 and a molecular weight of 432.93 g/mol. Its IUPAC name is 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide
PubChem CID90619416
Molecular FormulaC16H18ClFN4O3S2
Molecular Weight432.93 g/mol
Exact Mass432.05
IUPAC Name2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide
SMILESO=C(CNS(=O)(=O)c1ccc(F)c(Cl)c1)NCC1CCCN1c1nccs1
InChIInChI=1S/C16H18ClFN4O3S2/c17-13-8-12(3-4-14(13)18)27(24,25)21-10-15(23)20-9-11-2-1-6-22(11)16-19-5-7-26-16/h3-5,7-8,11,21H,1-2,6,9-10H2,(H,20,23)
InChIKeyBGSLHYVWEQYEOH-UHFFFAOYSA-N
XLogP2.00
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.93
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide
CID 90619405
3-(4-chloro-3-fluorophenyl)-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide
CID 90619449
3-[(2-fluorophenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide
CID 90619408
3-(4-fluoro-3-methylphenyl)-N-[[(2R)-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide
CID 99874628
N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90619684
2-(2-fluorophenoxy)-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide
CID 90619345
3-[(3-fluorophenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]benzamide
CID 90619424
2-pyrimidin-2-ylsulfanyl-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide
CID 90619576
4-[(2-fluorophenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]benzamide
CID 90619406
2-(1,3-dioxoisoindol-2-yl)-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide
CID 90619529
N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 90619443
5-methyl-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]pyrazine-2-carboxamide
CID 90619538

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide (CID 90619416) is 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide is O=C(CNS(=O)(=O)c1ccc(F)c(Cl)c1)NCC1CCCN1c1nccs1.
What is the InChIKey of 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide?
The InChIKey is BGSLHYVWEQYEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN4O3S2/c17-13-8-12(3-4-14(13)18)27(24,25)21-10-15(23)20-9-11-2-1-6-22(11)16-19-5-7-26-16/h3-5,7-8,11,21H,1-2,6,9-10H2,(H,20,23).
What are the key properties of 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide?
2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide has a molecular weight of 432.93 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 90619416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).