N-[1-(5-chlorothiophen-2-yl)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide

C12H17ClN4O2S2 — CID 106003980

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
SMILESCNCCn1cc(S(=O)(=O)NC(C)c2ccc(Cl)s2)cn1
InChIInChI=1S/C12H17ClN4O2S2/c1-9(11-3-4-12(13)20-11)16-21(18,19)10-7-15-17(8-10)6-5-14-2/h3-4,7-9,14,16H,5-6H2,1-2H3
InChIKeyNBDXLSUJFCFEFN-UHFFFAOYSA-N
MW348.88 g/mol
LogP1.86
Rot. Bonds7

About N-[1-(5-chlorothiophen-2-yl)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide

N-[1-(5-chlorothiophen-2-yl)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide (PubChem CID 106003980) has the molecular formula C12H17ClN4O2S2 and a molecular weight of 348.88 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
PubChem CID106003980
Molecular FormulaC12H17ClN4O2S2
Molecular Weight348.88 g/mol
Exact Mass348.05
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
SMILESCNCCn1cc(S(=O)(=O)NC(C)c2ccc(Cl)s2)cn1
InChIInChI=1S/C12H17ClN4O2S2/c1-9(11-3-4-12(13)20-11)16-21(18,19)10-7-15-17(8-10)6-5-14-2/h3-4,7-9,14,16H,5-6H2,1-2H3
InChIKeyNBDXLSUJFCFEFN-UHFFFAOYSA-N
XLogP1.86
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-(5-chlorothiophen-2-yl)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(methylamino)ethyl]-N-(4-methylpentan-2-yl)pyrazole-4-sulfonamide
CID 106028775
N-(1-cyclobutylethyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106084908
N-(1-ethylsulfanylpropan-2-yl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106083375
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106054788
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 46406758
3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4,5-dimethylbenzenesulfonamide
CID 61468769
1-[3-(ethylamino)propyl]-N-(3-methylpentan-2-yl)pyrazole-4-sulfonamide
CID 106053678
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 46406797
1-(2-aminoethyl)-N-(1-phenylethyl)pyrazole-4-sulfonamide
CID 106035429
2-(5-chlorothiophen-2-yl)-N-(1-methylpyrazol-4-yl)sulfonylpropanamide
CID 75377081
3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]benzenesulfonamide
CID 61469000
1-[3-(ethylamino)propyl]-N-(1-methylsulfanylpropan-2-yl)pyrazole-4-sulfonamide
CID 106079543

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide (CID 106003980) is N-[1-(5-chlorothiophen-2-yl)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide is CNCCn1cc(S(=O)(=O)NC(C)c2ccc(Cl)s2)cn1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide?
The InChIKey is NBDXLSUJFCFEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O2S2/c1-9(11-3-4-12(13)20-11)16-21(18,19)10-7-15-17(8-10)6-5-14-2/h3-4,7-9,14,16H,5-6H2,1-2H3.
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide?
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide has a molecular weight of 348.88 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 106003980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).