benzyl 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate

C14H14ClNO4S2 — CID 7804745

IUPACbenzyl 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate
SMILESCN(CC(=O)OCc1ccccc1)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H14ClNO4S2/c1-16(22(18,19)14-8-7-12(15)21-14)9-13(17)20-10-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3
InChIKeyMCMCLAOMUSWJGE-UHFFFAOYSA-N
MW359.86 g/mol
LogP2.77
Rot. Bonds6

About benzyl 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate

benzyl 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate (PubChem CID 7804745) has the molecular formula C14H14ClNO4S2 and a molecular weight of 359.86 g/mol. Its IUPAC name is benzyl 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate.

Molecular Properties

Compound Namebenzyl 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate
PubChem CID7804745
Molecular FormulaC14H14ClNO4S2
Molecular Weight359.86 g/mol
Exact Mass359.01
IUPAC Namebenzyl 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate
SMILESCN(CC(=O)OCc1ccccc1)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H14ClNO4S2/c1-16(22(18,19)14-8-7-12(15)21-14)9-13(17)20-10-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3
InChIKeyMCMCLAOMUSWJGE-UHFFFAOYSA-N
XLogP2.77
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 23851783
(2-chlorophenyl) 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate
CID 18227111
3-pyridin-3-ylpropyl 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate
CID 78772421
methyl 3-[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]oxynaphthalene-2-carboxylate
CID 31527570
N-[3-[benzyl(methyl)amino]propyl]-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetamide
CID 46532542
(2-chloro-5-methylphenyl) 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate
CID 26199574
N-[2-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]ethyl]benzamide
CID 38204108
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2,6-difluorophenyl)acetamide
CID 51158900
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-prop-2-enylacetamide
CID 9442232
5-chloro-N-(2-methoxyethyl)-N-methylthiophene-2-sulfonamide
CID 74225766
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
CID 55750268
methyl 2-chloro-5-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 38238252

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate?
The IUPAC name of benzyl 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate (CID 7804745) is benzyl 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate.
What is the SMILES notation for benzyl 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate?
The canonical SMILES for benzyl 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate is CN(CC(=O)OCc1ccccc1)S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of benzyl 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate?
The InChIKey is MCMCLAOMUSWJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO4S2/c1-16(22(18,19)14-8-7-12(15)21-14)9-13(17)20-10-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3.
What are the key properties of benzyl 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate?
benzyl 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate has a molecular weight of 359.86 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate is sourced from PubChem (CID 7804745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).