N-benzyl-N-(3-morpholin-4-ylpropyl)-4-(piperazin-1-ylmethyl)benzenesulfonamide

C25H36N4O3S — CID 59826019

IUPACN-benzyl-N-(3-morpholin-4-ylpropyl)-4-(piperazin-1-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(CN2CCNCC2)cc1)N(CCCN1CCOCC1)Cc1ccccc1
InChIInChI=1S/C25H36N4O3S/c30-33(31,25-9-7-24(8-10-25)21-28-15-11-26-12-16-28)29(22-23-5-2-1-3-6-23)14-4-13-27-17-19-32-20-18-27/h1-3,5-10,26H,4,11-22H2
InChIKeyKEIWLUKTYJDBAS-UHFFFAOYSA-N
MW472.66 g/mol
LogP2.01
Rot. Bonds10

About N-benzyl-N-(3-morpholin-4-ylpropyl)-4-(piperazin-1-ylmethyl)benzenesulfonamide

N-benzyl-N-(3-morpholin-4-ylpropyl)-4-(piperazin-1-ylmethyl)benzenesulfonamide (PubChem CID 59826019) has the molecular formula C25H36N4O3S and a molecular weight of 472.66 g/mol. Its IUPAC name is N-benzyl-N-(3-morpholin-4-ylpropyl)-4-(piperazin-1-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-(3-morpholin-4-ylpropyl)-4-(piperazin-1-ylmethyl)benzenesulfonamide
PubChem CID59826019
Molecular FormulaC25H36N4O3S
Molecular Weight472.66 g/mol
Exact Mass472.25
IUPAC NameN-benzyl-N-(3-morpholin-4-ylpropyl)-4-(piperazin-1-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(CN2CCNCC2)cc1)N(CCCN1CCOCC1)Cc1ccccc1
InChIInChI=1S/C25H36N4O3S/c30-33(31,25-9-7-24(8-10-25)21-28-15-11-26-12-16-28)29(22-23-5-2-1-3-6-23)14-4-13-27-17-19-32-20-18-27/h1-3,5-10,26H,4,11-22H2
InChIKeyKEIWLUKTYJDBAS-UHFFFAOYSA-N
XLogP2.01
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.66
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-N-(cyclopropylmethyl)-4-(piperazin-1-ylmethyl)benzenesulfonamide
CID 59826270
4-chloro-N-(2-morpholin-4-ylethyl)-N-[(4-phenylmethoxyphenyl)methyl]benzenesulfonamide
CID 42698256
N-benzyl-4-fluoro-N-[[4-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]benzenesulfonamide
CID 46886359
7,16-bis[12-(16-benzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)dodecyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 10418954
N-benzyl-N-(cyclopropylmethyl)-4-(pyrrolidin-1-ylmethyl)benzenesulfonamide
CID 71050438
4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 42700349
dilithium;4-benzylmorpholine;sulfite
CID 160525639
azane;1-benzylpiperazine
CID 174866973
N-benzyl-N-ethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 1167021
2-[benzenesulfonyl(2-morpholin-4-ylethyl)amino]-N-benzyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 42773228
N-benzyl-N-(2-piperidin-1-ylethyl)-4-propylbenzenesulfonamide
CID 51353133
1-[3-[[benzyl(ethyl)sulfamoyl]amino]propyl]piperazine;dihydrochloride
CID 119994518

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(3-morpholin-4-ylpropyl)-4-(piperazin-1-ylmethyl)benzenesulfonamide?
The IUPAC name of N-benzyl-N-(3-morpholin-4-ylpropyl)-4-(piperazin-1-ylmethyl)benzenesulfonamide (CID 59826019) is N-benzyl-N-(3-morpholin-4-ylpropyl)-4-(piperazin-1-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-N-(3-morpholin-4-ylpropyl)-4-(piperazin-1-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-N-(3-morpholin-4-ylpropyl)-4-(piperazin-1-ylmethyl)benzenesulfonamide is O=S(=O)(c1ccc(CN2CCNCC2)cc1)N(CCCN1CCOCC1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(3-morpholin-4-ylpropyl)-4-(piperazin-1-ylmethyl)benzenesulfonamide?
The InChIKey is KEIWLUKTYJDBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O3S/c30-33(31,25-9-7-24(8-10-25)21-28-15-11-26-12-16-28)29(22-23-5-2-1-3-6-23)14-4-13-27-17-19-32-20-18-27/h1-3,5-10,26H,4,11-22H2.
What are the key properties of N-benzyl-N-(3-morpholin-4-ylpropyl)-4-(piperazin-1-ylmethyl)benzenesulfonamide?
N-benzyl-N-(3-morpholin-4-ylpropyl)-4-(piperazin-1-ylmethyl)benzenesulfonamide has a molecular weight of 472.66 g/mol, XLogP of 2.01, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(3-morpholin-4-ylpropyl)-4-(piperazin-1-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 59826019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).