2,5-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-3-sulfonamide

C9H9Cl2N3O2S2 — CID 103854257

IUPAC2,5-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-3-sulfonamide
SMILESCC(NS(=O)(=O)c1cc(Cl)sc1Cl)c1cn[nH]c1
InChIInChI=1S/C9H9Cl2N3O2S2/c1-5(6-3-12-13-4-6)14-18(15,16)7-2-8(10)17-9(7)11/h2-5,14H,1H3,(H,12,13)
InChIKeyOILZHVZMJYTJHG-UHFFFAOYSA-N
MW326.23 g/mol
LogP2.82
Rot. Bonds4

About 2,5-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-3-sulfonamide

2,5-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-3-sulfonamide (PubChem CID 103854257) has the molecular formula C9H9Cl2N3O2S2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 2,5-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-3-sulfonamide
PubChem CID103854257
Molecular FormulaC9H9Cl2N3O2S2
Molecular Weight326.23 g/mol
Exact Mass324.95
IUPAC Name2,5-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-3-sulfonamide
SMILESCC(NS(=O)(=O)c1cc(Cl)sc1Cl)c1cn[nH]c1
InChIInChI=1S/C9H9Cl2N3O2S2/c1-5(6-3-12-13-4-6)14-18(15,16)7-2-8(10)17-9(7)11/h2-5,14H,1H3,(H,12,13)
InChIKeyOILZHVZMJYTJHG-UHFFFAOYSA-N
XLogP2.82
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]thiophene-3-sulfonamide
CID 5199198
3-amino-2-bromo-5-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106208359
methyl 5-bromo-4-[1-(1H-pyrazol-4-yl)ethylsulfamoyl]thiophene-2-carboxylate
CID 103854129
2-chloro-5-cyano-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 104919359
3-(aminomethyl)-2,5-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106218611
4-(aminomethyl)-2-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106217429
5-amino-2,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106208351
2-bromo-5-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-3-sulfonamide
CID 106218496
3-(aminomethyl)-2,4-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106218593
4-amino-2-methoxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106208333
1-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide
CID 106216702
5-chloro-1-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]imidazole-4-sulfonamide
CID 103854127

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-3-sulfonamide (CID 103854257) is 2,5-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-3-sulfonamide is CC(NS(=O)(=O)c1cc(Cl)sc1Cl)c1cn[nH]c1.
What is the InChIKey of 2,5-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-3-sulfonamide?
The InChIKey is OILZHVZMJYTJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N3O2S2/c1-5(6-3-12-13-4-6)14-18(15,16)7-2-8(10)17-9(7)11/h2-5,14H,1H3,(H,12,13).
What are the key properties of 2,5-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-3-sulfonamide?
2,5-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-3-sulfonamide has a molecular weight of 326.23 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-3-sulfonamide is sourced from PubChem (CID 103854257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).