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

C28H30N6O4S — CID 56683624

IUPACN-[5-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(-c3cc(NC(=O)c4ccc(N5CCN(C)CC5)cc4)n[nH]3)c2)cc1
InChIInChI=1S/C28H30N6O4S/c1-33-14-16-34(17-15-33)23-8-6-20(7-9-23)28(35)29-27-19-26(30-31-27)21-4-3-5-22(18-21)32-39(36,37)25-12-10-24(38-2)11-13-25/h3-13,18-19,32H,14-17H2,1-2H3,(H2,29,30,31,35)
InChIKeyFGVXLCXWOUOYDG-UHFFFAOYSA-N
MW546.65 g/mol
LogP3.89
Rot. Bonds8

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

N-[5-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide (PubChem CID 56683624) has the molecular formula C28H30N6O4S and a molecular weight of 546.65 g/mol. Its IUPAC name is N-[5-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound NameN-[5-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
PubChem CID56683624
Molecular FormulaC28H30N6O4S
Molecular Weight546.65 g/mol
Exact Mass546.20
IUPAC NameN-[5-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(-c3cc(NC(=O)c4ccc(N5CCN(C)CC5)cc4)n[nH]3)c2)cc1
InChIInChI=1S/C28H30N6O4S/c1-33-14-16-34(17-15-33)23-8-6-20(7-9-23)28(35)29-27-19-26(30-31-27)21-4-3-5-22(18-21)32-39(36,37)25-12-10-24(38-2)11-13-25/h3-13,18-19,32H,14-17H2,1-2H3,(H2,29,30,31,35)
InChIKeyFGVXLCXWOUOYDG-UHFFFAOYSA-N
XLogP3.89
TPSA119.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.65
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[5-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of N-[5-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide (CID 56683624) is N-[5-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for N-[5-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for N-[5-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide is COc1ccc(S(=O)(=O)Nc2cccc(-c3cc(NC(=O)c4ccc(N5CCN(C)CC5)cc4)n[nH]3)c2)cc1.
What is the InChIKey of N-[5-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is FGVXLCXWOUOYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O4S/c1-33-14-16-34(17-15-33)23-8-6-20(7-9-23)28(35)29-27-19-26(30-31-27)21-4-3-5-22(18-21)32-39(36,37)25-12-10-24(38-2)11-13-25/h3-13,18-19,32H,14-17H2,1-2H3,(H2,29,30,31,35).
What are the key properties of N-[5-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
N-[5-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 546.65 g/mol, XLogP of 3.89, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 56683624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).