3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide

C10H13ClN4O2S2 — CID 106034665

IUPAC3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCCc2ccc(Cl)s2)c(N)n1
InChIInChI=1S/C10H13ClN4O2S2/c1-15-6-8(10(12)14-15)19(16,17)13-5-4-7-2-3-9(11)18-7/h2-3,6,13H,4-5H2,1H3,(H2,12,14)
InChIKeyUWSJQWSEXBCCHV-UHFFFAOYSA-N
MW320.83 g/mol
LogP1.24
Rot. Bonds5

About 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide

3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 106034665) has the molecular formula C10H13ClN4O2S2 and a molecular weight of 320.83 g/mol. Its IUPAC name is 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide
PubChem CID106034665
Molecular FormulaC10H13ClN4O2S2
Molecular Weight320.83 g/mol
Exact Mass320.02
IUPAC Name3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCCc2ccc(Cl)s2)c(N)n1
InChIInChI=1S/C10H13ClN4O2S2/c1-15-6-8(10(12)14-15)19(16,17)13-5-4-7-2-3-9(11)18-7/h2-3,6,13H,4-5H2,1H3,(H2,12,14)
InChIKeyUWSJQWSEXBCCHV-UHFFFAOYSA-N
XLogP1.24
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.83
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[2-(4-fluorophenyl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 60808925
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylbenzenesulfonamide
CID 106034931
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 106034900
3-amino-N-[2-(2-methoxyphenyl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 106259655
3-amino-N-(3-hydroxybutyl)-1-methylpyrazole-4-sulfonamide
CID 64929598
3-amino-1-methyl-N-octylpyrazole-4-sulfonamide
CID 115566064
5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxybenzenesulfonamide
CID 106034891
3-amino-N-hex-5-ynyl-1-methylpyrazole-4-sulfonamide
CID 106208401
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-methylpyrazole-4-sulfonamide
CID 62976625
5-amino-3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzenesulfonamide
CID 106034935
5-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]thiophene-2-sulfonamide
CID 113225799
3-amino-1-propyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide
CID 60814018

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide (CID 106034665) is 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NCCc2ccc(Cl)s2)c(N)n1.
What is the InChIKey of 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is UWSJQWSEXBCCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O2S2/c1-15-6-8(10(12)14-15)19(16,17)13-5-4-7-2-3-9(11)18-7/h2-3,6,13H,4-5H2,1H3,(H2,12,14).
What are the key properties of 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide?
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 320.83 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 106034665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).