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

C28H29N5O4S — CID 56659824

IUPACN-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-(2-pyrrolidin-1-ylethoxy)benzamide
SMILESO=C(Nc1cc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)[nH]n1)c1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C28H29N5O4S/c34-28(21-11-13-24(14-12-21)37-18-17-33-15-4-5-16-33)29-27-20-26(30-31-27)22-7-6-8-23(19-22)32-38(35,36)25-9-2-1-3-10-25/h1-3,6-14,19-20,32H,4-5,15-18H2,(H2,29,30,31,34)
InChIKeyFQXJVZZKZWSHEQ-UHFFFAOYSA-N
MW531.64 g/mol
LogP4.60
Rot. Bonds10

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

N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-(2-pyrrolidin-1-ylethoxy)benzamide (PubChem CID 56659824) has the molecular formula C28H29N5O4S and a molecular weight of 531.64 g/mol. Its IUPAC name is N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-(2-pyrrolidin-1-ylethoxy)benzamide.

Molecular Properties

Compound NameN-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-(2-pyrrolidin-1-ylethoxy)benzamide
PubChem CID56659824
Molecular FormulaC28H29N5O4S
Molecular Weight531.64 g/mol
Exact Mass531.19
IUPAC NameN-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-(2-pyrrolidin-1-ylethoxy)benzamide
SMILESO=C(Nc1cc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)[nH]n1)c1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C28H29N5O4S/c34-28(21-11-13-24(14-12-21)37-18-17-33-15-4-5-16-33)29-27-20-26(30-31-27)22-7-6-8-23(19-22)32-38(35,36)25-9-2-1-3-10-25/h1-3,6-14,19-20,32H,4-5,15-18H2,(H2,29,30,31,34)
InChIKeyFQXJVZZKZWSHEQ-UHFFFAOYSA-N
XLogP4.60
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.64
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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-[(4-methoxyphenyl)sulfonylamino]phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 56683624
N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide
CID 56683625
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
benzyl N-[[4-[3-[[4-(3-pyrrolidin-1-ylpropoxy)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]methyl]carbamate
CID 70657170
N-[5-[4-[[(4-fluorophenyl)carbamoylamino]methyl]phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide
CID 71659101
N-[6-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-indazol-3-yl]-4-(2-piperidin-1-ylethoxy)benzamide
CID 137652300
4-ethoxy-N-{1-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}benzamide
CID 91888210
4-Ethoxy-N-[1-(3-phenyl-1H-pyrazol-5-yl)piperidin-4-yl]benzamide
CID 91904751
4-Ethoxy-N-[1-(3-phenyl-1H-pyrazol-5-YL)pyrrolidin-3-YL]benzamide
CID 91914575

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-(2-pyrrolidin-1-ylethoxy)benzamide?
The IUPAC name of N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-(2-pyrrolidin-1-ylethoxy)benzamide (CID 56659824) is N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-(2-pyrrolidin-1-ylethoxy)benzamide.
What is the SMILES notation for N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-(2-pyrrolidin-1-ylethoxy)benzamide?
The canonical SMILES for N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-(2-pyrrolidin-1-ylethoxy)benzamide is O=C(Nc1cc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)[nH]n1)c1ccc(OCCN2CCCC2)cc1.
What is the InChIKey of N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-(2-pyrrolidin-1-ylethoxy)benzamide?
The InChIKey is FQXJVZZKZWSHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O4S/c34-28(21-11-13-24(14-12-21)37-18-17-33-15-4-5-16-33)29-27-20-26(30-31-27)22-7-6-8-23(19-22)32-38(35,36)25-9-2-1-3-10-25/h1-3,6-14,19-20,32H,4-5,15-18H2,(H2,29,30,31,34).
What are the key properties of N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-(2-pyrrolidin-1-ylethoxy)benzamide?
N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-(2-pyrrolidin-1-ylethoxy)benzamide has a molecular weight of 531.64 g/mol, XLogP of 4.60, 10 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-(2-pyrrolidin-1-ylethoxy)benzamide is sourced from PubChem (CID 56659824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).