2-bromo-5-(hydroxymethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-3-sulfonamide

C10H11BrN2O4S2 — CID 106377889

IUPAC2-bromo-5-(hydroxymethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-3-sulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2cc(CO)sc2Br)o1
InChIInChI=1S/C10H11BrN2O4S2/c1-6-3-12-9(17-6)4-13-19(15,16)8-2-7(5-14)18-10(8)11/h2-3,13-14H,4-5H2,1H3
InChIKeyRRDOQMGERIYIKZ-UHFFFAOYSA-N
MW367.25 g/mol
LogP1.78
Rot. Bonds5

About 2-bromo-5-(hydroxymethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-3-sulfonamide

2-bromo-5-(hydroxymethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-3-sulfonamide (PubChem CID 106377889) has the molecular formula C10H11BrN2O4S2 and a molecular weight of 367.25 g/mol. Its IUPAC name is 2-bromo-5-(hydroxymethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-5-(hydroxymethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-3-sulfonamide
PubChem CID106377889
Molecular FormulaC10H11BrN2O4S2
Molecular Weight367.25 g/mol
Exact Mass365.93
IUPAC Name2-bromo-5-(hydroxymethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-3-sulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2cc(CO)sc2Br)o1
InChIInChI=1S/C10H11BrN2O4S2/c1-6-3-12-9(17-6)4-13-19(15,16)8-2-7(5-14)18-10(8)11/h2-3,13-14H,4-5H2,1H3
InChIKeyRRDOQMGERIYIKZ-UHFFFAOYSA-N
XLogP1.78
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.25
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-bromo-4-(hydroxymethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106377879
5-(aminomethyl)-2-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]thiophene-3-sulfonamide
CID 106377999
2-bromo-5-(hydroxymethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-3-sulfonamide
CID 106410367
5-bromo-4-[(5-ethyl-1,3-oxazol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 106370269
4-methyl-5-(methylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide
CID 106378080
2-bromo-N-(2,2-dimethylbutyl)-5-(hydroxymethyl)thiophene-3-sulfonamide
CID 103465918
4-(hydroxymethyl)-2-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106377906
2-methoxy-4,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 110660446
2-amino-4,6-dibromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369131
5-(aminomethyl)-2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiophene-3-sulfonamide
CID 106378250
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 113463209
N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide
CID 110660417

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(hydroxymethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-3-sulfonamide?
The IUPAC name of 2-bromo-5-(hydroxymethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-3-sulfonamide (CID 106377889) is 2-bromo-5-(hydroxymethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2-bromo-5-(hydroxymethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-3-sulfonamide?
The canonical SMILES for 2-bromo-5-(hydroxymethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-3-sulfonamide is Cc1cnc(CNS(=O)(=O)c2cc(CO)sc2Br)o1.
What is the InChIKey of 2-bromo-5-(hydroxymethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-3-sulfonamide?
The InChIKey is RRDOQMGERIYIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O4S2/c1-6-3-12-9(17-6)4-13-19(15,16)8-2-7(5-14)18-10(8)11/h2-3,13-14H,4-5H2,1H3.
What are the key properties of 2-bromo-5-(hydroxymethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-3-sulfonamide?
2-bromo-5-(hydroxymethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-3-sulfonamide has a molecular weight of 367.25 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(hydroxymethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106377889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).