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

C11H14BrN3O3S2 — CID 106106594

IUPAC2-bromo-5-(hydroxymethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]thiophene-3-sulfonamide
SMILESCn1ccc(CCNS(=O)(=O)c2cc(CO)sc2Br)n1
InChIInChI=1S/C11H14BrN3O3S2/c1-15-5-3-8(14-15)2-4-13-20(17,18)10-6-9(7-16)19-11(10)12/h3,5-6,13,16H,2,4,7H2,1H3
InChIKeyRYQCIWIJCCCZST-UHFFFAOYSA-N
MW380.29 g/mol
LogP1.26
Rot. Bonds6

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

2-bromo-5-(hydroxymethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]thiophene-3-sulfonamide (PubChem CID 106106594) has the molecular formula C11H14BrN3O3S2 and a molecular weight of 380.29 g/mol. Its IUPAC name is 2-bromo-5-(hydroxymethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-5-(hydroxymethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]thiophene-3-sulfonamide
PubChem CID106106594
Molecular FormulaC11H14BrN3O3S2
Molecular Weight380.29 g/mol
Exact Mass378.97
IUPAC Name2-bromo-5-(hydroxymethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]thiophene-3-sulfonamide
SMILESCn1ccc(CCNS(=O)(=O)c2cc(CO)sc2Br)n1
InChIInChI=1S/C11H14BrN3O3S2/c1-15-5-3-8(14-15)2-4-13-20(17,18)10-6-9(7-16)19-11(10)12/h3,5-6,13,16H,2,4,7H2,1H3
InChIKeyRYQCIWIJCCCZST-UHFFFAOYSA-N
XLogP1.26
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.29
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-bromo-5-(methylaminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]thiophene-3-sulfonamide
CID 106106635
2-bromo-5-(hydroxymethyl)-N-(1-methylpyrazol-3-yl)thiophene-3-sulfonamide
CID 114134158
2-bromo-N-(2,2-dimethylbutyl)-5-(hydroxymethyl)thiophene-3-sulfonamide
CID 103465918
4-amino-2,6-dibromo-N-[2-(1-methylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 106103937
N-[2-(1-methylpyrazol-3-yl)ethyl]ethanesulfonamide
CID 104626606
3-amino-2,4-difluoro-N-[2-(1-methylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 106103901
5-(ethylaminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]furan-2-sulfonamide
CID 106106529
4-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-3-sulfonamide
CID 106106302
5-bromo-4-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 103004774
3-(aminomethyl)-4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 106106654
2-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-4-sulfonamide
CID 106106320
2-bromo-5-(hydroxymethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-3-sulfonamide
CID 106022593

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(hydroxymethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]thiophene-3-sulfonamide?
The IUPAC name of 2-bromo-5-(hydroxymethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]thiophene-3-sulfonamide (CID 106106594) is 2-bromo-5-(hydroxymethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2-bromo-5-(hydroxymethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]thiophene-3-sulfonamide?
The canonical SMILES for 2-bromo-5-(hydroxymethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]thiophene-3-sulfonamide is Cn1ccc(CCNS(=O)(=O)c2cc(CO)sc2Br)n1.
What is the InChIKey of 2-bromo-5-(hydroxymethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]thiophene-3-sulfonamide?
The InChIKey is RYQCIWIJCCCZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O3S2/c1-15-5-3-8(14-15)2-4-13-20(17,18)10-6-9(7-16)19-11(10)12/h3,5-6,13,16H,2,4,7H2,1H3.
What are the key properties of 2-bromo-5-(hydroxymethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]thiophene-3-sulfonamide?
2-bromo-5-(hydroxymethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]thiophene-3-sulfonamide has a molecular weight of 380.29 g/mol, XLogP of 1.26, 6 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-[2-(1-methylpyrazol-3-yl)ethyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106106594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).