N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-morpholin-4-ylbenzamide

C26H25N5O4S — CID 56676975

IUPACN-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-morpholin-4-ylbenzamide
SMILESO=C(Nc1cc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)[nH]n1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C26H25N5O4S/c32-26(19-9-11-22(12-10-19)31-13-15-35-16-14-31)27-25-18-24(28-29-25)20-5-4-6-21(17-20)30-36(33,34)23-7-2-1-3-8-23/h1-12,17-18,30H,13-16H2,(H2,27,28,29,32)
InChIKeyKLFGEFWUMJCZNH-UHFFFAOYSA-N
MW503.58 g/mol
LogP3.97
Rot. Bonds7

About N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-morpholin-4-ylbenzamide

N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-morpholin-4-ylbenzamide (PubChem CID 56676975) has the molecular formula C26H25N5O4S and a molecular weight of 503.58 g/mol. Its IUPAC name is N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-morpholin-4-ylbenzamide
PubChem CID56676975
Molecular FormulaC26H25N5O4S
Molecular Weight503.58 g/mol
Exact Mass503.16
IUPAC NameN-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-morpholin-4-ylbenzamide
SMILESO=C(Nc1cc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)[nH]n1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C26H25N5O4S/c32-26(19-9-11-22(12-10-19)31-13-15-35-16-14-31)27-25-18-24(28-29-25)20-5-4-6-21(17-20)30-36(33,34)23-7-2-1-3-8-23/h1-12,17-18,30H,13-16H2,(H2,27,28,29,32)
InChIKeyKLFGEFWUMJCZNH-UHFFFAOYSA-N
XLogP3.97
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.58
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-morpholin-4-ylbenzamide?
The IUPAC name of N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-morpholin-4-ylbenzamide (CID 56676975) is N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-morpholin-4-ylbenzamide?
The canonical SMILES for N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-morpholin-4-ylbenzamide is O=C(Nc1cc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)[nH]n1)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-morpholin-4-ylbenzamide?
The InChIKey is KLFGEFWUMJCZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O4S/c32-26(19-9-11-22(12-10-19)31-13-15-35-16-14-31)27-25-18-24(28-29-25)20-5-4-6-21(17-20)30-36(33,34)23-7-2-1-3-8-23/h1-12,17-18,30H,13-16H2,(H2,27,28,29,32).
What are the key properties of N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-morpholin-4-ylbenzamide?
N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-morpholin-4-ylbenzamide has a molecular weight of 503.58 g/mol, XLogP of 3.97, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-morpholin-4-ylbenzamide is sourced from PubChem (CID 56676975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).