N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide

C28H29N5O5S — CID 56683625

IUPACN-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide
SMILESO=C(Nc1cc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)[nH]n1)c1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C28H29N5O5S/c34-28(21-9-11-24(12-10-21)38-18-15-33-13-16-37-17-14-33)29-27-20-26(30-31-27)22-5-4-6-23(19-22)32-39(35,36)25-7-2-1-3-8-25/h1-12,19-20,32H,13-18H2,(H2,29,30,31,34)
InChIKeySCXJWIMTVIDIFS-UHFFFAOYSA-N
MW547.64 g/mol
LogP3.84
Rot. Bonds10

About N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide

N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide (PubChem CID 56683625) has the molecular formula C28H29N5O5S and a molecular weight of 547.64 g/mol. Its IUPAC name is N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide.

Molecular Properties

Compound NameN-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide
PubChem CID56683625
Molecular FormulaC28H29N5O5S
Molecular Weight547.64 g/mol
Exact Mass547.19
IUPAC NameN-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide
SMILESO=C(Nc1cc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)[nH]n1)c1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C28H29N5O5S/c34-28(21-9-11-24(12-10-21)38-18-15-33-13-16-37-17-14-33)29-27-20-26(30-31-27)22-5-4-6-23(19-22)32-39(35,36)25-7-2-1-3-8-25/h1-12,19-20,32H,13-18H2,(H2,29,30,31,34)
InChIKeySCXJWIMTVIDIFS-UHFFFAOYSA-N
XLogP3.84
TPSA125.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.64
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide with MolForge

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Related Compounds

benzyl N-[[4-[3-[[4-(2-pyrrolidin-1-ylethoxy)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]methyl]carbamate
CID 70654492
N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 56659824
N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-3-morpholin-4-ylbenzamide
CID 56663290
N-[5-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 56683624
4-(2-morpholin-4-ylethoxy)-N-[5-[4-[(phenylcarbamoylamino)methyl]phenyl]-1H-pyrazol-3-yl]benzamide
CID 70654558
phenyl N-[4-[3-[[4-(2-pyrrolidin-1-ylethoxy)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]carbamate
CID 70654613
benzyl N-[[4-[3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]methyl]carbamate
CID 70655070
N-[5-[4-[[(4-fluorophenyl)carbamoylamino]methyl]phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide
CID 71659101
N-[5-[4-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide
CID 71659102
N-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide
CID 137635105
N-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]-4-(2-piperidin-1-ylethoxy)benzamide
CID 137647060
N-[6-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-indazol-3-yl]-4-(2-piperidin-1-ylethoxy)benzamide
CID 137652300

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide?
The IUPAC name of N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide (CID 56683625) is N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide.
What is the SMILES notation for N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide?
The canonical SMILES for N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide is O=C(Nc1cc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)[nH]n1)c1ccc(OCCN2CCOCC2)cc1.
What is the InChIKey of N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide?
The InChIKey is SCXJWIMTVIDIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O5S/c34-28(21-9-11-24(12-10-21)38-18-15-33-13-16-37-17-14-33)29-27-20-26(30-31-27)22-5-4-6-23(19-22)32-39(35,36)25-7-2-1-3-8-25/h1-12,19-20,32H,13-18H2,(H2,29,30,31,34).
What are the key properties of N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide?
N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide has a molecular weight of 547.64 g/mol, XLogP of 3.84, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide is sourced from PubChem (CID 56683625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).