2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]acetate

C7H7BrNO4S2- — CID 4084132

IUPAC2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]acetate
SMILESCN(CC(=O)[O-])S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C7H8BrNO4S2/c1-9(4-6(10)11)15(12,13)7-3-2-5(8)14-7/h2-3H,4H2,1H3,(H,10,11)/p-1
InChIKeyYGQMCSUBRSQODB-UHFFFAOYSA-M
MW313.17 g/mol
LogP-0.12
Rot. Bonds4

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

2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]acetate (PubChem CID 4084132) has the molecular formula C7H7BrNO4S2- and a molecular weight of 313.17 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]acetate.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]acetate
PubChem CID4084132
Molecular FormulaC7H7BrNO4S2-
Molecular Weight313.17 g/mol
Exact Mass311.90
IUPAC Name2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]acetate
SMILESCN(CC(=O)[O-])S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C7H8BrNO4S2/c1-9(4-6(10)11)15(12,13)7-3-2-5(8)14-7/h2-3H,4H2,1H3,(H,10,11)/p-1
InChIKeyYGQMCSUBRSQODB-UHFFFAOYSA-M
XLogP-0.12
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.17
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-Bromothiophene-2-sulfonamido)acetic acid
CID 3242956
[[(5-Bromothien-2-yl)sulfonyl](methyl)amino]-acetic acid
CID 4084133
2-[(2,5-Dibromothiophen-3-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258226
2-[(5-Bromothiophen-2-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258817
Ethane;methyl 2-[(5-bromothiophen-2-yl)sulfonylamino]acetate;propane
CID 141938318
Methyl 2-[(4,5-dibromothiophen-2-yl)sulfonyl-methylamino]acetate
CID 3706981
2-[(5-Bromothiophen-2-yl)sulfonylamino]acetate
CID 4084127
2-[Methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 4295868
N-[(5-Bromo-2-thienyl)sulfonyl]glycine methyl ester
CID 8470535
Methyl 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]acetate
CID 17420856
Methyl 2-[(5-bromothiophen-2-yl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 25556607
5-bromo-N-methyl-N-(2-oxoethyl)thiophene-2-sulfonamide
CID 28272371

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]acetate?
The IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]acetate (CID 4084132) is 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]acetate.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]acetate?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]acetate is CN(CC(=O)[O-])S(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]acetate?
The InChIKey is YGQMCSUBRSQODB-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8BrNO4S2/c1-9(4-6(10)11)15(12,13)7-3-2-5(8)14-7/h2-3H,4H2,1H3,(H,10,11)/p-1.
What are the key properties of 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]acetate?
2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]acetate has a molecular weight of 313.17 g/mol, XLogP of -0.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]acetate is sourced from PubChem (CID 4084132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).