5-(3,5-dimethylpiperazine-1-carbonyl)-N-hydroxy-2-methylbenzenesulfonamide

C14H21N3O4S — CID 126516403

IUPAC5-(3,5-dimethylpiperazine-1-carbonyl)-N-hydroxy-2-methylbenzenesulfonamide
SMILESCc1ccc(C(=O)N2CC(C)NC(C)C2)cc1S(=O)(=O)NO
InChIInChI=1S/C14H21N3O4S/c1-9-4-5-12(6-13(9)22(20,21)16-19)14(18)17-7-10(2)15-11(3)8-17/h4-6,10-11,15-16,19H,7-8H2,1-3H3
InChIKeyBTKJKBQYEYHZSB-UHFFFAOYSA-N
MW327.41 g/mol
LogP0.48
Rot. Bonds3

About 5-(3,5-dimethylpiperazine-1-carbonyl)-N-hydroxy-2-methylbenzenesulfonamide

5-(3,5-dimethylpiperazine-1-carbonyl)-N-hydroxy-2-methylbenzenesulfonamide (PubChem CID 126516403) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is 5-(3,5-dimethylpiperazine-1-carbonyl)-N-hydroxy-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-(3,5-dimethylpiperazine-1-carbonyl)-N-hydroxy-2-methylbenzenesulfonamide
PubChem CID126516403
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC Name5-(3,5-dimethylpiperazine-1-carbonyl)-N-hydroxy-2-methylbenzenesulfonamide
SMILESCc1ccc(C(=O)N2CC(C)NC(C)C2)cc1S(=O)(=O)NO
InChIInChI=1S/C14H21N3O4S/c1-9-4-5-12(6-13(9)22(20,21)16-19)14(18)17-7-10(2)15-11(3)8-17/h4-6,10-11,15-16,19H,7-8H2,1-3H3
InChIKeyBTKJKBQYEYHZSB-UHFFFAOYSA-N
XLogP0.48
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-5-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-2-methylbenzenesulfonamide
CID 143783654
5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-2-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 25390926
2-methyl-N-(3-methylphenyl)-5-(3-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 119578072
(3,5-dimethylpiperazin-1-yl)-(4-iodophenyl)methanone
CID 63862421
(3,5-dimethylpiperazin-1-yl)-phenylmethanone
CID 10560788
5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(2-methoxyphenyl)-2-methylbenzenesulfonamide
CID 2336291
(4-bromo-3-fluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 119564258
3-(3,5-dimethylpiperazine-1-carbonyl)benzamide;hydrochloride
CID 119564571
[(3R,5S)-3,5-dimethylpiperazin-1-yl]-(1H-indazol-5-yl)methanone
CID 124589837
5-(4-aminopiperidine-1-carbonyl)-N-(4-fluorophenyl)-2-methylbenzenesulfonamide
CID 119376231
[(3S,5R)-3,5-dimethylpiperazin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanone
CID 124590558
(3,5-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 63874051

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylpiperazine-1-carbonyl)-N-hydroxy-2-methylbenzenesulfonamide?
The IUPAC name of 5-(3,5-dimethylpiperazine-1-carbonyl)-N-hydroxy-2-methylbenzenesulfonamide (CID 126516403) is 5-(3,5-dimethylpiperazine-1-carbonyl)-N-hydroxy-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-(3,5-dimethylpiperazine-1-carbonyl)-N-hydroxy-2-methylbenzenesulfonamide?
The canonical SMILES for 5-(3,5-dimethylpiperazine-1-carbonyl)-N-hydroxy-2-methylbenzenesulfonamide is Cc1ccc(C(=O)N2CC(C)NC(C)C2)cc1S(=O)(=O)NO.
What is the InChIKey of 5-(3,5-dimethylpiperazine-1-carbonyl)-N-hydroxy-2-methylbenzenesulfonamide?
The InChIKey is BTKJKBQYEYHZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-9-4-5-12(6-13(9)22(20,21)16-19)14(18)17-7-10(2)15-11(3)8-17/h4-6,10-11,15-16,19H,7-8H2,1-3H3.
What are the key properties of 5-(3,5-dimethylpiperazine-1-carbonyl)-N-hydroxy-2-methylbenzenesulfonamide?
5-(3,5-dimethylpiperazine-1-carbonyl)-N-hydroxy-2-methylbenzenesulfonamide has a molecular weight of 327.41 g/mol, XLogP of 0.48, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylpiperazine-1-carbonyl)-N-hydroxy-2-methylbenzenesulfonamide is sourced from PubChem (CID 126516403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).