2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(1,3-dithian-2-yl)phenyl]acetamide

C19H21ClN2O3S3 — CID 27842609

IUPAC2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(1,3-dithian-2-yl)phenyl]acetamide
SMILESCN(CC(=O)Nc1cccc(C2SCCCS2)c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O3S3/c1-22(28(24,25)17-8-6-15(20)7-9-17)13-18(23)21-16-5-2-4-14(12-16)19-26-10-3-11-27-19/h2,4-9,12,19H,3,10-11,13H2,1H3,(H,21,23)
InChIKeyJZTRUENAIGYBPK-UHFFFAOYSA-N
MW457.04 g/mol
LogP4.47
Rot. Bonds6

About 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(1,3-dithian-2-yl)phenyl]acetamide

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(1,3-dithian-2-yl)phenyl]acetamide (PubChem CID 27842609) has the molecular formula C19H21ClN2O3S3 and a molecular weight of 457.04 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(1,3-dithian-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(1,3-dithian-2-yl)phenyl]acetamide
PubChem CID27842609
Molecular FormulaC19H21ClN2O3S3
Molecular Weight457.04 g/mol
Exact Mass456.04
IUPAC Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(1,3-dithian-2-yl)phenyl]acetamide
SMILESCN(CC(=O)Nc1cccc(C2SCCCS2)c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O3S3/c1-22(28(24,25)17-8-6-15(20)7-9-17)13-18(23)21-16-5-2-4-14(12-16)19-26-10-3-11-27-19/h2,4-9,12,19H,3,10-11,13H2,1H3,(H,21,23)
InChIKeyJZTRUENAIGYBPK-UHFFFAOYSA-N
XLogP4.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.04
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 2709729
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(phenylcarbamoylamino)phenyl]acetamide
CID 46508678
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 24653479
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-pyridin-3-ylacetamide
CID 17380536
2-chloro-N-[3-(1,3-dithiolan-2-yl)phenyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 35852240
N-[4-(1-adamantyl)phenyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 100704773
N-(3-acetamidophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 27055361
2-[(3-bromophenyl)sulfonyl-methylamino]-N-(4-chlorophenyl)acetamide
CID 2535186
2-[(3,5-dichlorophenyl)sulfonyl-methylamino]-N-(3-fluorophenyl)acetamide
CID 26942310
N-(4-chlorophenyl)-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide
CID 100530866
N-[3-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]propanamide
CID 38024472
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CID 27364864

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(1,3-dithian-2-yl)phenyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(1,3-dithian-2-yl)phenyl]acetamide (CID 27842609) is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(1,3-dithian-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(1,3-dithian-2-yl)phenyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(1,3-dithian-2-yl)phenyl]acetamide is CN(CC(=O)Nc1cccc(C2SCCCS2)c1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(1,3-dithian-2-yl)phenyl]acetamide?
The InChIKey is JZTRUENAIGYBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S3/c1-22(28(24,25)17-8-6-15(20)7-9-17)13-18(23)21-16-5-2-4-14(12-16)19-26-10-3-11-27-19/h2,4-9,12,19H,3,10-11,13H2,1H3,(H,21,23).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(1,3-dithian-2-yl)phenyl]acetamide?
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(1,3-dithian-2-yl)phenyl]acetamide has a molecular weight of 457.04 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(1,3-dithian-2-yl)phenyl]acetamide is sourced from PubChem (CID 27842609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).