N-[4-[4-(2-hydroxy-3-phenoxypropyl)piperazine-1-carbonyl]phenyl]methanesulfonamide

C21H27N3O5S — CID 14739886

IUPACN-[4-[4-(2-hydroxy-3-phenoxypropyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)N2CCN(CC(O)COc3ccccc3)CC2)cc1
InChIInChI=1S/C21H27N3O5S/c1-30(27,28)22-18-9-7-17(8-10-18)21(26)24-13-11-23(12-14-24)15-19(25)16-29-20-5-3-2-4-6-20/h2-10,19,22,25H,11-16H2,1H3
InChIKeyPPZQGVVFRVQCOU-UHFFFAOYSA-N
MW433.53 g/mol
LogP1.26
Rot. Bonds8

About N-[4-[4-(2-hydroxy-3-phenoxypropyl)piperazine-1-carbonyl]phenyl]methanesulfonamide

N-[4-[4-(2-hydroxy-3-phenoxypropyl)piperazine-1-carbonyl]phenyl]methanesulfonamide (PubChem CID 14739886) has the molecular formula C21H27N3O5S and a molecular weight of 433.53 g/mol. Its IUPAC name is N-[4-[4-(2-hydroxy-3-phenoxypropyl)piperazine-1-carbonyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[4-(2-hydroxy-3-phenoxypropyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
PubChem CID14739886
Molecular FormulaC21H27N3O5S
Molecular Weight433.53 g/mol
Exact Mass433.17
IUPAC NameN-[4-[4-(2-hydroxy-3-phenoxypropyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)N2CCN(CC(O)COc3ccccc3)CC2)cc1
InChIInChI=1S/C21H27N3O5S/c1-30(27,28)22-18-9-7-17(8-10-18)21(26)24-13-11-23(12-14-24)15-19(25)16-29-20-5-3-2-4-6-20/h2-10,19,22,25H,11-16H2,1H3
InChIKeyPPZQGVVFRVQCOU-UHFFFAOYSA-N
XLogP1.26
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-Hydroxy-3-(1-naphthalenyloxy)propyl]-4-[4-[(methylsulfonyl)amino]benzoyl]piperazine
CID 14739885
4-Methanesulfonylamino-N-[4-(2-methoxy-phenyl)-piperazin-2-ylmethyl]-benzamide
CID 14998850
N-[2-[4-(methanesulfonamido)phenoxy]ethyl]-N-[2-[4-(methanesulfonamido)phenyl]ethyl]benzamide
CID 10907557
3-[2-[2-[4-(Methanesulfonamido)phenyl]ethyl-methylamino]ethoxy]benzamide
CID 14645078
N-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethyl]-4-(methanesulfonamido)benzamide
CID 14739875
N-[2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethyl]-4-(methanesulfonamido)benzamide
CID 14739876
4-[(4-ethoxyphenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 18288869
4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide
CID 24818088
4-[(4-ethoxyphenyl)sulfonylamino]-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 24982010
N-[4-[2-[[(2S)-3-[3-(acetamidomethyl)phenoxy]-2-hydroxypropyl]amino]ethyl]phenyl]benzamide
CID 145984792
N-[4-[(3S)-3-benzyl-4-[(3-methoxyphenyl)methyl]-5-oxopiperazine-1-carbonyl]phenyl]methanesulfonamide
CID 122600834
4-{2-[N-Methyl-N-(4-methanesulphonamidophenethyl)amino]ethoxy}benzamide
CID 10340417

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-hydroxy-3-phenoxypropyl)piperazine-1-carbonyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[4-(2-hydroxy-3-phenoxypropyl)piperazine-1-carbonyl]phenyl]methanesulfonamide (CID 14739886) is N-[4-[4-(2-hydroxy-3-phenoxypropyl)piperazine-1-carbonyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[4-(2-hydroxy-3-phenoxypropyl)piperazine-1-carbonyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[4-(2-hydroxy-3-phenoxypropyl)piperazine-1-carbonyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(C(=O)N2CCN(CC(O)COc3ccccc3)CC2)cc1.
What is the InChIKey of N-[4-[4-(2-hydroxy-3-phenoxypropyl)piperazine-1-carbonyl]phenyl]methanesulfonamide?
The InChIKey is PPZQGVVFRVQCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5S/c1-30(27,28)22-18-9-7-17(8-10-18)21(26)24-13-11-23(12-14-24)15-19(25)16-29-20-5-3-2-4-6-20/h2-10,19,22,25H,11-16H2,1H3.
What are the key properties of N-[4-[4-(2-hydroxy-3-phenoxypropyl)piperazine-1-carbonyl]phenyl]methanesulfonamide?
N-[4-[4-(2-hydroxy-3-phenoxypropyl)piperazine-1-carbonyl]phenyl]methanesulfonamide has a molecular weight of 433.53 g/mol, XLogP of 1.26, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-hydroxy-3-phenoxypropyl)piperazine-1-carbonyl]phenyl]methanesulfonamide is sourced from PubChem (CID 14739886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).