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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Related Compounds

N-(5-(3,5-difluorophenylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-4-(4-methylpiperazin-1-yl)benzamide
CID 16730088
N-[5-(4-methylphenyl)sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 24752167
4-(4-methylpiperazin-1-yl)-N-[5-[3-(propan-2-ylsulfonylamino)phenyl]-1H-pyrazol-3-yl]benzamide
CID 56659823
N-[5-(3-aminophenyl)-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 56663280
N-[5-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 56663288
N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-3-(4-methylpiperazin-1-yl)benzamide
CID 56663289
N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-3-morpholin-4-ylbenzamide
CID 56663290
N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-(morpholin-4-ylmethyl)benzamide
CID 56666717
N-[5-(3-benzamidophenyl)-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 56666718
4-(4-methylpiperazin-1-yl)-N-[5-[3-(propylsulfonylamino)phenyl]-1H-pyrazol-3-yl]benzamide
CID 56670140
N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 56673651
N-[5-[3-[(3-methylphenyl)sulfonylamino]phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 56676973

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).