(5-bromothiophen-2-yl)sulfonyl-methylcarbamic acid

C6H6BrNO4S2 — CID 67189352

IUPAC(5-bromothiophen-2-yl)sulfonyl-methylcarbamic acid
SMILESCN(C(=O)O)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C6H6BrNO4S2/c1-8(6(9)10)14(11,12)5-3-2-4(7)13-5/h2-3H,1H3,(H,9,10)
InChIKeyRFPVFDIKLRBWMD-UHFFFAOYSA-N
MW300.16 g/mol
LogP1.81
Rot. Bonds2

About (5-bromothiophen-2-yl)sulfonyl-methylcarbamic acid

(5-bromothiophen-2-yl)sulfonyl-methylcarbamic acid (PubChem CID 67189352) has the molecular formula C6H6BrNO4S2 and a molecular weight of 300.16 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)sulfonyl-methylcarbamic acid.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)sulfonyl-methylcarbamic acid
PubChem CID67189352
Molecular FormulaC6H6BrNO4S2
Molecular Weight300.16 g/mol
Exact Mass298.89
IUPAC Name(5-bromothiophen-2-yl)sulfonyl-methylcarbamic acid
SMILESCN(C(=O)O)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C6H6BrNO4S2/c1-8(6(9)10)14(11,12)5-3-2-4(7)13-5/h2-3H,1H3,(H,9,10)
InChIKeyRFPVFDIKLRBWMD-UHFFFAOYSA-N
XLogP1.81
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-bromothiophen-2-yl)sulfonyl-methylamino]butanoic acid
CID 43090805
5-amino-2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]benzoic acid
CID 63116575
5-bromo-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
CID 39456166
5-bromo-N-ethyl-N-(3-hydroxypropyl)thiophene-2-sulfonamide
CID 115755446
1-(5-bromothiophen-2-yl)sulfonylpropan-2-one
CID 28753742
2-[(5-bromothiophen-2-yl)sulfonyl-ethylamino]-N-ethylacetamide
CID 40751541
5-bromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)thiophene-2-sulfonamide
CID 54937883
5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)thiophene-2-sulfonamide
CID 79386615
5-bromo-N-(cyclopentylmethyl)-N-methylthiophene-2-sulfonamide
CID 62067638
1-(5-bromothiophen-2-yl)sulfonylcyclopropane-1-carboxylic acid
CID 117032269
2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-cyclohexylacetamide
CID 3245023
5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide
CID 112551413

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)sulfonyl-methylcarbamic acid?
The IUPAC name of (5-bromothiophen-2-yl)sulfonyl-methylcarbamic acid (CID 67189352) is (5-bromothiophen-2-yl)sulfonyl-methylcarbamic acid.
What is the SMILES notation for (5-bromothiophen-2-yl)sulfonyl-methylcarbamic acid?
The canonical SMILES for (5-bromothiophen-2-yl)sulfonyl-methylcarbamic acid is CN(C(=O)O)S(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of (5-bromothiophen-2-yl)sulfonyl-methylcarbamic acid?
The InChIKey is RFPVFDIKLRBWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNO4S2/c1-8(6(9)10)14(11,12)5-3-2-4(7)13-5/h2-3H,1H3,(H,9,10).
What are the key properties of (5-bromothiophen-2-yl)sulfonyl-methylcarbamic acid?
(5-bromothiophen-2-yl)sulfonyl-methylcarbamic acid has a molecular weight of 300.16 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)sulfonyl-methylcarbamic acid is sourced from PubChem (CID 67189352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).