N-(1H-benzimidazol-2-ylmethyl)-4-chloro-1-methylpyrazole-5-sulfonamide

C12H12ClN5O2S — CID 106150581

IUPACN-(1H-benzimidazol-2-ylmethyl)-4-chloro-1-methylpyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C12H12ClN5O2S/c1-18-12(8(13)6-14-18)21(19,20)15-7-11-16-9-4-2-3-5-10(9)17-11/h2-6,15H,7H2,1H3,(H,16,17)
InChIKeyXDAFIYKUEHPBFV-UHFFFAOYSA-N
MW325.78 g/mol
LogP1.43
Rot. Bonds4

About N-(1H-benzimidazol-2-ylmethyl)-4-chloro-1-methylpyrazole-5-sulfonamide

N-(1H-benzimidazol-2-ylmethyl)-4-chloro-1-methylpyrazole-5-sulfonamide (PubChem CID 106150581) has the molecular formula C12H12ClN5O2S and a molecular weight of 325.78 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-4-chloro-1-methylpyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-4-chloro-1-methylpyrazole-5-sulfonamide
PubChem CID106150581
Molecular FormulaC12H12ClN5O2S
Molecular Weight325.78 g/mol
Exact Mass325.04
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-4-chloro-1-methylpyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C12H12ClN5O2S/c1-18-12(8(13)6-14-18)21(19,20)15-7-11-16-9-4-2-3-5-10(9)17-11/h2-6,15H,7H2,1H3,(H,16,17)
InChIKeyXDAFIYKUEHPBFV-UHFFFAOYSA-N
XLogP1.43
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.78
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-4-chloro-1-methylpyrazole-5-sulfonamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-4-chloro-1-methylpyrazole-5-sulfonamide (CID 106150581) is N-(1H-benzimidazol-2-ylmethyl)-4-chloro-1-methylpyrazole-5-sulfonamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-4-chloro-1-methylpyrazole-5-sulfonamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-4-chloro-1-methylpyrazole-5-sulfonamide is Cn1ncc(Cl)c1S(=O)(=O)NCc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-4-chloro-1-methylpyrazole-5-sulfonamide?
The InChIKey is XDAFIYKUEHPBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN5O2S/c1-18-12(8(13)6-14-18)21(19,20)15-7-11-16-9-4-2-3-5-10(9)17-11/h2-6,15H,7H2,1H3,(H,16,17).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-4-chloro-1-methylpyrazole-5-sulfonamide?
N-(1H-benzimidazol-2-ylmethyl)-4-chloro-1-methylpyrazole-5-sulfonamide has a molecular weight of 325.78 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-4-chloro-1-methylpyrazole-5-sulfonamide is sourced from PubChem (CID 106150581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).