1-(4-chloro-1-methylpyrazol-3-yl)imidazole-2-sulfonamide

C7H8ClN5O2S — CID 14252749

IUPAC1-(4-chloro-1-methylpyrazol-3-yl)imidazole-2-sulfonamide
SMILESCn1cc(Cl)c(-n2ccnc2S(N)(=O)=O)n1
InChIInChI=1S/C7H8ClN5O2S/c1-12-4-5(8)6(11-12)13-3-2-10-7(13)16(9,14)15/h2-4H,1H3,(H2,9,14,15)
InChIKeyRLCFXNQJOSMSCF-UHFFFAOYSA-N
MW261.69 g/mol
LogP-0.09
Rot. Bonds2

About 1-(4-chloro-1-methylpyrazol-3-yl)imidazole-2-sulfonamide

1-(4-chloro-1-methylpyrazol-3-yl)imidazole-2-sulfonamide (PubChem CID 14252749) has the molecular formula C7H8ClN5O2S and a molecular weight of 261.69 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-3-yl)imidazole-2-sulfonamide.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-3-yl)imidazole-2-sulfonamide
PubChem CID14252749
Molecular FormulaC7H8ClN5O2S
Molecular Weight261.69 g/mol
Exact Mass261.01
IUPAC Name1-(4-chloro-1-methylpyrazol-3-yl)imidazole-2-sulfonamide
SMILESCn1cc(Cl)c(-n2ccnc2S(N)(=O)=O)n1
InChIInChI=1S/C7H8ClN5O2S/c1-12-4-5(8)6(11-12)13-3-2-10-7(13)16(9,14)15/h2-4H,1H3,(H2,9,14,15)
InChIKeyRLCFXNQJOSMSCF-UHFFFAOYSA-N
XLogP-0.09
TPSA95.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.69
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-3-yl)imidazole-2-sulfonamide?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-3-yl)imidazole-2-sulfonamide (CID 14252749) is 1-(4-chloro-1-methylpyrazol-3-yl)imidazole-2-sulfonamide.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-3-yl)imidazole-2-sulfonamide?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-3-yl)imidazole-2-sulfonamide is Cn1cc(Cl)c(-n2ccnc2S(N)(=O)=O)n1.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-3-yl)imidazole-2-sulfonamide?
The InChIKey is RLCFXNQJOSMSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN5O2S/c1-12-4-5(8)6(11-12)13-3-2-10-7(13)16(9,14)15/h2-4H,1H3,(H2,9,14,15).
What are the key properties of 1-(4-chloro-1-methylpyrazol-3-yl)imidazole-2-sulfonamide?
1-(4-chloro-1-methylpyrazol-3-yl)imidazole-2-sulfonamide has a molecular weight of 261.69 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methylpyrazol-3-yl)imidazole-2-sulfonamide is sourced from PubChem (CID 14252749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).