6-[4-(2-aminoacetyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;hydrochloride

C24H26ClF3N6O3S — CID 134306698

IUPAC6-[4-(2-aminoacetyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;hydrochloride
SMILESCc1ccccc1-c1nc(NS(=O)(=O)c2cccc(N3CCN(C(=O)CN)CC3)n2)ccc1C(F)(F)F.Cl
InChIInChI=1S/C24H25F3N6O3S.ClH/c1-16-5-2-3-6-17(16)23-18(24(25,26)27)9-10-19(29-23)31-37(35,36)21-8-4-7-20(30-21)32-11-13-33(14-12-32)22(34)15-28;/h2-10H,11-15,28H2,1H3,(H,29,31);1H
InChIKeyMYSHGEWXVYQZFL-UHFFFAOYSA-N
MW571.03 g/mol
LogP3.30
Rot. Bonds6

About 6-[4-(2-aminoacetyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;hydrochloride

6-[4-(2-aminoacetyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;hydrochloride (PubChem CID 134306698) has the molecular formula C24H26ClF3N6O3S and a molecular weight of 571.03 g/mol. Its IUPAC name is 6-[4-(2-aminoacetyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;hydrochloride.

Molecular Properties

Compound Name6-[4-(2-aminoacetyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;hydrochloride
PubChem CID134306698
Molecular FormulaC24H26ClF3N6O3S
Molecular Weight571.03 g/mol
Exact Mass570.14
IUPAC Name6-[4-(2-aminoacetyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;hydrochloride
SMILESCc1ccccc1-c1nc(NS(=O)(=O)c2cccc(N3CCN(C(=O)CN)CC3)n2)ccc1C(F)(F)F.Cl
InChIInChI=1S/C24H25F3N6O3S.ClH/c1-16-5-2-3-6-17(16)23-18(24(25,26)27)9-10-19(29-23)31-37(35,36)21-8-4-7-20(30-21)32-11-13-33(14-12-32)22(34)15-28;/h2-10H,11-15,28H2,1H3,(H,29,31);1H
InChIKeyMYSHGEWXVYQZFL-UHFFFAOYSA-N
XLogP3.30
TPSA121.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.03
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-aminoacetyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;hydrochloride?
The IUPAC name of 6-[4-(2-aminoacetyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;hydrochloride (CID 134306698) is 6-[4-(2-aminoacetyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;hydrochloride.
What is the SMILES notation for 6-[4-(2-aminoacetyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;hydrochloride?
The canonical SMILES for 6-[4-(2-aminoacetyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;hydrochloride is Cc1ccccc1-c1nc(NS(=O)(=O)c2cccc(N3CCN(C(=O)CN)CC3)n2)ccc1C(F)(F)F.Cl.
What is the InChIKey of 6-[4-(2-aminoacetyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;hydrochloride?
The InChIKey is MYSHGEWXVYQZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N6O3S.ClH/c1-16-5-2-3-6-17(16)23-18(24(25,26)27)9-10-19(29-23)31-37(35,36)21-8-4-7-20(30-21)32-11-13-33(14-12-32)22(34)15-28;/h2-10H,11-15,28H2,1H3,(H,29,31);1H.
What are the key properties of 6-[4-(2-aminoacetyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;hydrochloride?
6-[4-(2-aminoacetyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;hydrochloride has a molecular weight of 571.03 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-aminoacetyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;hydrochloride is sourced from PubChem (CID 134306698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).