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

C19H21N3O5S — CID 55646310

IUPACN-[3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)N2CCN(C(=O)c3ccccc3O)CC2)c1
InChIInChI=1S/C19H21N3O5S/c1-28(26,27)20-15-6-4-5-14(13-15)18(24)21-9-11-22(12-10-21)19(25)16-7-2-3-8-17(16)23/h2-8,13,20,23H,9-12H2,1H3
InChIKeyAAJJFBCLQCROFS-UHFFFAOYSA-N
MW403.46 g/mol
LogP1.36
Rot. Bonds4

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

N-[3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]methanesulfonamide (PubChem CID 55646310) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is N-[3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
PubChem CID55646310
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC NameN-[3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)N2CCN(C(=O)c3ccccc3O)CC2)c1
InChIInChI=1S/C19H21N3O5S/c1-28(26,27)20-15-6-4-5-14(13-15)18(24)21-9-11-22(12-10-21)19(25)16-7-2-3-8-17(16)23/h2-8,13,20,23H,9-12H2,1H3
InChIKeyAAJJFBCLQCROFS-UHFFFAOYSA-N
XLogP1.36
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 36818842
N-[3-[4-(2-methylbenzoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 110365637
N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]methanesulfonamide
CID 8001369
N-[3-[3-(methanesulfonamido)benzoyl]phenyl]methanesulfonamide
CID 127038503
2-fluoro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 26158103
(4-methylsulfonylpiperazin-1-yl)-[3-(sulfanylamino)phenyl]methanone
CID 122659147
[3-[4-[4-(methanesulfonamido)benzoyl]piperazine-1-carbonyl]phenyl] acetate
CID 108533205
N-[4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]-3,4-dimethylbenzenesulfonamide
CID 55646281
N-[3-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]methanesulfonamide
CID 173143971
3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide
CID 55645949
2-chloro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 26157840
N-[3-(4-ethylpiperazine-1-carbonyl)phenyl]benzenesulfonamide;N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 158352401

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]methanesulfonamide (CID 55646310) is N-[3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(C(=O)N2CCN(C(=O)c3ccccc3O)CC2)c1.
What is the InChIKey of N-[3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]methanesulfonamide?
The InChIKey is AAJJFBCLQCROFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S/c1-28(26,27)20-15-6-4-5-14(13-15)18(24)21-9-11-22(12-10-21)19(25)16-7-2-3-8-17(16)23/h2-8,13,20,23H,9-12H2,1H3.
What are the key properties of N-[3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]methanesulfonamide?
N-[3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]methanesulfonamide has a molecular weight of 403.46 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]methanesulfonamide is sourced from PubChem (CID 55646310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).