2-bromo-5-(hydroxymethyl)-N-(1-methylpyrazol-3-yl)thiophene-3-sulfonamide

C9H10BrN3O3S2 — CID 114134158

IUPAC2-bromo-5-(hydroxymethyl)-N-(1-methylpyrazol-3-yl)thiophene-3-sulfonamide
SMILESCn1ccc(NS(=O)(=O)c2cc(CO)sc2Br)n1
InChIInChI=1S/C9H10BrN3O3S2/c1-13-3-2-8(11-13)12-18(15,16)7-4-6(5-14)17-9(7)10/h2-4,14H,5H2,1H3,(H,11,12)
InChIKeyAEYYGFYYZIPWBP-UHFFFAOYSA-N
MW352.24 g/mol
LogP1.54
Rot. Bonds4

About 2-bromo-5-(hydroxymethyl)-N-(1-methylpyrazol-3-yl)thiophene-3-sulfonamide

2-bromo-5-(hydroxymethyl)-N-(1-methylpyrazol-3-yl)thiophene-3-sulfonamide (PubChem CID 114134158) has the molecular formula C9H10BrN3O3S2 and a molecular weight of 352.24 g/mol. Its IUPAC name is 2-bromo-5-(hydroxymethyl)-N-(1-methylpyrazol-3-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-5-(hydroxymethyl)-N-(1-methylpyrazol-3-yl)thiophene-3-sulfonamide
PubChem CID114134158
Molecular FormulaC9H10BrN3O3S2
Molecular Weight352.24 g/mol
Exact Mass350.93
IUPAC Name2-bromo-5-(hydroxymethyl)-N-(1-methylpyrazol-3-yl)thiophene-3-sulfonamide
SMILESCn1ccc(NS(=O)(=O)c2cc(CO)sc2Br)n1
InChIInChI=1S/C9H10BrN3O3S2/c1-13-3-2-8(11-13)12-18(15,16)7-4-6(5-14)17-9(7)10/h2-4,14H,5H2,1H3,(H,11,12)
InChIKeyAEYYGFYYZIPWBP-UHFFFAOYSA-N
XLogP1.54
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.24
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-bromo-5-(hydroxymethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]thiophene-3-sulfonamide
CID 106106594
2-bromo-N-(2,2-dimethylbutyl)-5-(hydroxymethyl)thiophene-3-sulfonamide
CID 103465918
2-bromo-N-(3-fluoro-4-pyridinyl)-5-(hydroxymethyl)thiophene-3-sulfonamide
CID 106000398
2-bromo-5-(methylaminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]thiophene-3-sulfonamide
CID 106106635
5-(3-hydroxyprop-1-ynyl)-2-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 60845811
2,3,4,5,6-pentamethyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 22209061
2-bromo-5-(hydroxymethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-3-sulfonamide
CID 106410367
2,4-dichloro-5-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid
CID 60703802
3-methyl-5-[(1-methylpyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 54920333
2-bromo-5-(hydroxymethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-3-sulfonamide
CID 106022593
5-(aminomethyl)-2-bromo-N-(6-methyl-2-pyridinyl)thiophene-3-sulfonamide
CID 106086989
4-(3-aminoprop-1-ynyl)-2-chloro-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 60844317

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(hydroxymethyl)-N-(1-methylpyrazol-3-yl)thiophene-3-sulfonamide?
The IUPAC name of 2-bromo-5-(hydroxymethyl)-N-(1-methylpyrazol-3-yl)thiophene-3-sulfonamide (CID 114134158) is 2-bromo-5-(hydroxymethyl)-N-(1-methylpyrazol-3-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-bromo-5-(hydroxymethyl)-N-(1-methylpyrazol-3-yl)thiophene-3-sulfonamide?
The canonical SMILES for 2-bromo-5-(hydroxymethyl)-N-(1-methylpyrazol-3-yl)thiophene-3-sulfonamide is Cn1ccc(NS(=O)(=O)c2cc(CO)sc2Br)n1.
What is the InChIKey of 2-bromo-5-(hydroxymethyl)-N-(1-methylpyrazol-3-yl)thiophene-3-sulfonamide?
The InChIKey is AEYYGFYYZIPWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O3S2/c1-13-3-2-8(11-13)12-18(15,16)7-4-6(5-14)17-9(7)10/h2-4,14H,5H2,1H3,(H,11,12).
What are the key properties of 2-bromo-5-(hydroxymethyl)-N-(1-methylpyrazol-3-yl)thiophene-3-sulfonamide?
2-bromo-5-(hydroxymethyl)-N-(1-methylpyrazol-3-yl)thiophene-3-sulfonamide has a molecular weight of 352.24 g/mol, XLogP of 1.54, 4 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-(1-methylpyrazol-3-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 114134158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).