2-methoxy-5-(piperazine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride

C15H24ClN3O4S — CID 119401125

IUPAC2-methoxy-5-(piperazine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride
SMILESCOc1ccc(C(=O)N2CCNCC2)cc1S(=O)(=O)NC(C)C.Cl
InChIInChI=1S/C15H23N3O4S.ClH/c1-11(2)17-23(20,21)14-10-12(4-5-13(14)22-3)15(19)18-8-6-16-7-9-18;/h4-5,10-11,16-17H,6-9H2,1-3H3;1H
InChIKeySWNBRZGNMBMNCL-UHFFFAOYSA-N
MW377.89 g/mol
LogP0.85
Rot. Bonds5

About 2-methoxy-5-(piperazine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride

2-methoxy-5-(piperazine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride (PubChem CID 119401125) has the molecular formula C15H24ClN3O4S and a molecular weight of 377.89 g/mol. Its IUPAC name is 2-methoxy-5-(piperazine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-methoxy-5-(piperazine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride
PubChem CID119401125
Molecular FormulaC15H24ClN3O4S
Molecular Weight377.89 g/mol
Exact Mass377.12
IUPAC Name2-methoxy-5-(piperazine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride
SMILESCOc1ccc(C(=O)N2CCNCC2)cc1S(=O)(=O)NC(C)C.Cl
InChIInChI=1S/C15H23N3O4S.ClH/c1-11(2)17-23(20,21)14-10-12(4-5-13(14)22-3)15(19)18-8-6-16-7-9-18;/h4-5,10-11,16-17H,6-9H2,1-3H3;1H
InChIKeySWNBRZGNMBMNCL-UHFFFAOYSA-N
XLogP0.85
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.89
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-5-[4-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119543842
2-methoxy-5-[4-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 119543843
1-[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256273
(3S,4S)-1-[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120952831
5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 119631942
4-(1,4-diazepane-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119417843
N-tert-butyl-2-methoxy-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 29262539
2-methoxy-N-propan-2-yl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 56532917
4-methoxy-N-(piperidin-3-ylmethyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119461144
5-[[(4-chlorobenzoyl)amino]carbamoyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 35158676
N-butan-2-yl-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 45373494
N-cyclopentyl-2-methoxy-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 4060589

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(piperazine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of 2-methoxy-5-(piperazine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride (CID 119401125) is 2-methoxy-5-(piperazine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-methoxy-5-(piperazine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 2-methoxy-5-(piperazine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride is COc1ccc(C(=O)N2CCNCC2)cc1S(=O)(=O)NC(C)C.Cl.
What is the InChIKey of 2-methoxy-5-(piperazine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride?
The InChIKey is SWNBRZGNMBMNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S.ClH/c1-11(2)17-23(20,21)14-10-12(4-5-13(14)22-3)15(19)18-8-6-16-7-9-18;/h4-5,10-11,16-17H,6-9H2,1-3H3;1H.
What are the key properties of 2-methoxy-5-(piperazine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride?
2-methoxy-5-(piperazine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride has a molecular weight of 377.89 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(piperazine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119401125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).