N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-chlorothiophene-2-sulfonamide

C9H11ClN4O2S2 — CID 79524048

IUPACN-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-chlorothiophene-2-sulfonamide
SMILESCn1ncc(CNS(=O)(=O)c2ccc(Cl)s2)c1N
InChIInChI=1S/C9H11ClN4O2S2/c1-14-9(11)6(4-12-14)5-13-18(15,16)8-3-2-7(10)17-8/h2-4,13H,5,11H2,1H3
InChIKeyCJHCTVKRCZUKIH-UHFFFAOYSA-N
MW306.80 g/mol
LogP1.20
Rot. Bonds4

About N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-chlorothiophene-2-sulfonamide

N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-chlorothiophene-2-sulfonamide (PubChem CID 79524048) has the molecular formula C9H11ClN4O2S2 and a molecular weight of 306.80 g/mol. Its IUPAC name is N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-chlorothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-chlorothiophene-2-sulfonamide
PubChem CID79524048
Molecular FormulaC9H11ClN4O2S2
Molecular Weight306.80 g/mol
Exact Mass306.00
IUPAC NameN-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-chlorothiophene-2-sulfonamide
SMILESCn1ncc(CNS(=O)(=O)c2ccc(Cl)s2)c1N
InChIInChI=1S/C9H11ClN4O2S2/c1-14-9(11)6(4-12-14)5-13-18(15,16)8-3-2-7(10)17-8/h2-4,13H,5,11H2,1H3
InChIKeyCJHCTVKRCZUKIH-UHFFFAOYSA-N
XLogP1.20
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-chlorothiophene-2-sulfonamide?
The IUPAC name of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-chlorothiophene-2-sulfonamide (CID 79524048) is N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-chlorothiophene-2-sulfonamide.
What is the SMILES notation for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-chlorothiophene-2-sulfonamide?
The canonical SMILES for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-chlorothiophene-2-sulfonamide is Cn1ncc(CNS(=O)(=O)c2ccc(Cl)s2)c1N.
What is the InChIKey of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-chlorothiophene-2-sulfonamide?
The InChIKey is CJHCTVKRCZUKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O2S2/c1-14-9(11)6(4-12-14)5-13-18(15,16)8-3-2-7(10)17-8/h2-4,13H,5,11H2,1H3.
What are the key properties of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-chlorothiophene-2-sulfonamide?
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-chlorothiophene-2-sulfonamide has a molecular weight of 306.80 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-chlorothiophene-2-sulfonamide is sourced from PubChem (CID 79524048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).