3-amino-4-chloro-N-methylpyrazole-1-sulfonamide

C4H7ClN4O2S — CID 131062370

IUPAC3-amino-4-chloro-N-methylpyrazole-1-sulfonamide
SMILESCNS(=O)(=O)n1cc(Cl)c(N)n1
InChIInChI=1S/C4H7ClN4O2S/c1-7-12(10,11)9-2-3(5)4(6)8-9/h2,7H,1H3,(H2,6,8)
InChIKeySNDKEOVZNVYXER-UHFFFAOYSA-N
MW210.65 g/mol
LogP-0.57
Rot. Bonds2

About 3-amino-4-chloro-N-methylpyrazole-1-sulfonamide

3-amino-4-chloro-N-methylpyrazole-1-sulfonamide (PubChem CID 131062370) has the molecular formula C4H7ClN4O2S and a molecular weight of 210.65 g/mol. Its IUPAC name is 3-amino-4-chloro-N-methylpyrazole-1-sulfonamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-methylpyrazole-1-sulfonamide
PubChem CID131062370
Molecular FormulaC4H7ClN4O2S
Molecular Weight210.65 g/mol
Exact Mass210.00
IUPAC Name3-amino-4-chloro-N-methylpyrazole-1-sulfonamide
SMILESCNS(=O)(=O)n1cc(Cl)c(N)n1
InChIInChI=1S/C4H7ClN4O2S/c1-7-12(10,11)9-2-3(5)4(6)8-9/h2,7H,1H3,(H2,6,8)
InChIKeySNDKEOVZNVYXER-UHFFFAOYSA-N
XLogP-0.57
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.65
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-methylpyrazole-1-sulfonamide?
The IUPAC name of 3-amino-4-chloro-N-methylpyrazole-1-sulfonamide (CID 131062370) is 3-amino-4-chloro-N-methylpyrazole-1-sulfonamide.
What is the SMILES notation for 3-amino-4-chloro-N-methylpyrazole-1-sulfonamide?
The canonical SMILES for 3-amino-4-chloro-N-methylpyrazole-1-sulfonamide is CNS(=O)(=O)n1cc(Cl)c(N)n1.
What is the InChIKey of 3-amino-4-chloro-N-methylpyrazole-1-sulfonamide?
The InChIKey is SNDKEOVZNVYXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClN4O2S/c1-7-12(10,11)9-2-3(5)4(6)8-9/h2,7H,1H3,(H2,6,8).
What are the key properties of 3-amino-4-chloro-N-methylpyrazole-1-sulfonamide?
3-amino-4-chloro-N-methylpyrazole-1-sulfonamide has a molecular weight of 210.65 g/mol, XLogP of -0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-methylpyrazole-1-sulfonamide is sourced from PubChem (CID 131062370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).