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

C28H30N6O3S — CID 56676973

IUPACN-[5-[3-[(3-methylphenyl)sulfonylamino]phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
SMILESCc1cccc(S(=O)(=O)Nc2cccc(-c3cc(NC(=O)c4ccc(N5CCN(C)CC5)cc4)n[nH]3)c2)c1
InChIInChI=1S/C28H30N6O3S/c1-20-5-3-8-25(17-20)38(36,37)32-23-7-4-6-22(18-23)26-19-27(31-30-26)29-28(35)21-9-11-24(12-10-21)34-15-13-33(2)14-16-34/h3-12,17-19,32H,13-16H2,1-2H3,(H2,29,30,31,35)
InChIKeyJWZRVKDTKFYYDV-UHFFFAOYSA-N
MW530.65 g/mol
LogP4.19
Rot. Bonds7

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

N-[5-[3-[(3-methylphenyl)sulfonylamino]phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide (PubChem CID 56676973) has the molecular formula C28H30N6O3S and a molecular weight of 530.65 g/mol. Its IUPAC name is N-[5-[3-[(3-methylphenyl)sulfonylamino]phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound NameN-[5-[3-[(3-methylphenyl)sulfonylamino]phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
PubChem CID56676973
Molecular FormulaC28H30N6O3S
Molecular Weight530.65 g/mol
Exact Mass530.21
IUPAC NameN-[5-[3-[(3-methylphenyl)sulfonylamino]phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
SMILESCc1cccc(S(=O)(=O)Nc2cccc(-c3cc(NC(=O)c4ccc(N5CCN(C)CC5)cc4)n[nH]3)c2)c1
InChIInChI=1S/C28H30N6O3S/c1-20-5-3-8-25(17-20)38(36,37)32-23-7-4-6-22(18-23)26-19-27(31-30-26)29-28(35)21-9-11-24(12-10-21)34-15-13-33(2)14-16-34/h3-12,17-19,32H,13-16H2,1-2H3,(H2,29,30,31,35)
InChIKeyJWZRVKDTKFYYDV-UHFFFAOYSA-N
XLogP4.19
TPSA110.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.65
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-Methyl-piperazin-1-yl)-N-(5-phenylacetyl-1,4,5,6-tetrahydro-pyrrolo[3,4-c]pyrazol-3-yl)-benzamide
CID 11305344
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

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[(3-methylphenyl)sulfonylamino]phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of N-[5-[3-[(3-methylphenyl)sulfonylamino]phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide (CID 56676973) is N-[5-[3-[(3-methylphenyl)sulfonylamino]phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for N-[5-[3-[(3-methylphenyl)sulfonylamino]phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for N-[5-[3-[(3-methylphenyl)sulfonylamino]phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide is Cc1cccc(S(=O)(=O)Nc2cccc(-c3cc(NC(=O)c4ccc(N5CCN(C)CC5)cc4)n[nH]3)c2)c1.
What is the InChIKey of N-[5-[3-[(3-methylphenyl)sulfonylamino]phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is JWZRVKDTKFYYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O3S/c1-20-5-3-8-25(17-20)38(36,37)32-23-7-4-6-22(18-23)26-19-27(31-30-26)29-28(35)21-9-11-24(12-10-21)34-15-13-33(2)14-16-34/h3-12,17-19,32H,13-16H2,1-2H3,(H2,29,30,31,35).
What are the key properties of N-[5-[3-[(3-methylphenyl)sulfonylamino]phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
N-[5-[3-[(3-methylphenyl)sulfonylamino]phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 530.65 g/mol, XLogP of 4.19, 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-methylphenyl)sulfonylamino]phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 56676973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).