N-[5-[3-[(3-chlorophenyl)sulfonylamino]phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide

C27H27ClN6O3S — CID 56673654

IUPACN-[5-[3-[(3-chlorophenyl)sulfonylamino]phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
SMILESCN1CCN(c2ccc(C(=O)Nc3cc(-c4cccc(NS(=O)(=O)c5cccc(Cl)c5)c4)[nH]n3)cc2)CC1
InChIInChI=1S/C27H27ClN6O3S/c1-33-12-14-34(15-13-33)23-10-8-19(9-11-23)27(35)29-26-18-25(30-31-26)20-4-2-6-22(16-20)32-38(36,37)24-7-3-5-21(28)17-24/h2-11,16-18,32H,12-15H2,1H3,(H2,29,30,31,35)
InChIKeyZOTXBRHWIDKKFO-UHFFFAOYSA-N
MW551.07 g/mol
LogP4.53
Rot. Bonds7

About N-[5-[3-[(3-chlorophenyl)sulfonylamino]phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide

N-[5-[3-[(3-chlorophenyl)sulfonylamino]phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide (PubChem CID 56673654) has the molecular formula C27H27ClN6O3S and a molecular weight of 551.07 g/mol. Its IUPAC name is N-[5-[3-[(3-chlorophenyl)sulfonylamino]phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound NameN-[5-[3-[(3-chlorophenyl)sulfonylamino]phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
PubChem CID56673654
Molecular FormulaC27H27ClN6O3S
Molecular Weight551.07 g/mol
Exact Mass550.16
IUPAC NameN-[5-[3-[(3-chlorophenyl)sulfonylamino]phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
SMILESCN1CCN(c2ccc(C(=O)Nc3cc(-c4cccc(NS(=O)(=O)c5cccc(Cl)c5)c4)[nH]n3)cc2)CC1
InChIInChI=1S/C27H27ClN6O3S/c1-33-12-14-34(15-13-33)23-10-8-19(9-11-23)27(35)29-26-18-25(30-31-26)20-4-2-6-22(16-20)32-38(36,37)24-7-3-5-21(28)17-24/h2-11,16-18,32H,12-15H2,1H3,(H2,29,30,31,35)
InChIKeyZOTXBRHWIDKKFO-UHFFFAOYSA-N
XLogP4.53
TPSA110.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.07
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[(3-chlorophenyl)sulfonylamino]phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of N-[5-[3-[(3-chlorophenyl)sulfonylamino]phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide (CID 56673654) is N-[5-[3-[(3-chlorophenyl)sulfonylamino]phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for N-[5-[3-[(3-chlorophenyl)sulfonylamino]phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for N-[5-[3-[(3-chlorophenyl)sulfonylamino]phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide is CN1CCN(c2ccc(C(=O)Nc3cc(-c4cccc(NS(=O)(=O)c5cccc(Cl)c5)c4)[nH]n3)cc2)CC1.
What is the InChIKey of N-[5-[3-[(3-chlorophenyl)sulfonylamino]phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is ZOTXBRHWIDKKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN6O3S/c1-33-12-14-34(15-13-33)23-10-8-19(9-11-23)27(35)29-26-18-25(30-31-26)20-4-2-6-22(16-20)32-38(36,37)24-7-3-5-21(28)17-24/h2-11,16-18,32H,12-15H2,1H3,(H2,29,30,31,35).
What are the key properties of N-[5-[3-[(3-chlorophenyl)sulfonylamino]phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
N-[5-[3-[(3-chlorophenyl)sulfonylamino]phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 551.07 g/mol, XLogP of 4.53, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[(3-chlorophenyl)sulfonylamino]phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 56673654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).