3-bromo-N-[2-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide

C10H12BrN3O2S2 — CID 113225806

IUPAC3-bromo-N-[2-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
SMILESCn1cc(CCNS(=O)(=O)c2sccc2Br)cn1
InChIInChI=1S/C10H12BrN3O2S2/c1-14-7-8(6-12-14)2-4-13-18(15,16)10-9(11)3-5-17-10/h3,5-7,13H,2,4H2,1H3
InChIKeyYQWSQJULMNVLFB-UHFFFAOYSA-N
MW350.26 g/mol
LogP1.77
Rot. Bonds5

About 3-bromo-N-[2-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide

3-bromo-N-[2-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 113225806) has the molecular formula C10H12BrN3O2S2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 3-bromo-N-[2-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-[2-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
PubChem CID113225806
Molecular FormulaC10H12BrN3O2S2
Molecular Weight350.26 g/mol
Exact Mass348.96
IUPAC Name3-bromo-N-[2-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
SMILESCn1cc(CCNS(=O)(=O)c2sccc2Br)cn1
InChIInChI=1S/C10H12BrN3O2S2/c1-14-7-8(6-12-14)2-4-13-18(15,16)10-9(11)3-5-17-10/h3,5-7,13H,2,4H2,1H3
InChIKeyYQWSQJULMNVLFB-UHFFFAOYSA-N
XLogP1.77
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dibromo-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 47305787
2-bromo-4-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 47235685
N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 47235671
4-bromo-3-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 103697397
2-chloro-4-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-5-sulfonamide
CID 79471965
4-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 80689629
3-bromo-N-ethylthiophene-2-sulfonamide
CID 61072476
4-(ethylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 80685575
5-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 106268698
3-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 80681451
3-bromo-N-[3-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride
CID 119964647
3-bromo-N-(2-imidazol-1-ylethyl)thiophene-2-sulfonamide
CID 61072946

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-[2-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide (CID 113225806) is 3-bromo-N-[2-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-[2-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-[2-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide is Cn1cc(CCNS(=O)(=O)c2sccc2Br)cn1.
What is the InChIKey of 3-bromo-N-[2-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is YQWSQJULMNVLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O2S2/c1-14-7-8(6-12-14)2-4-13-18(15,16)10-9(11)3-5-17-10/h3,5-7,13H,2,4H2,1H3.
What are the key properties of 3-bromo-N-[2-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide?
3-bromo-N-[2-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 350.26 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 113225806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).