2-methoxy-N,N-dimethyl-5-(4-methylpiperazine-1-carbonyl)benzenesulfonamide

C15H23N3O4S — CID 17027735

IUPAC2-methoxy-N,N-dimethyl-5-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCOc1ccc(C(=O)N2CCN(C)CC2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C15H23N3O4S/c1-16(2)23(20,21)14-11-12(5-6-13(14)22-4)15(19)18-9-7-17(3)8-10-18/h5-6,11H,7-10H2,1-4H3
InChIKeyBVLSZZZIYPSHSM-UHFFFAOYSA-N
MW341.43 g/mol
LogP0.33
Rot. Bonds4

About 2-methoxy-N,N-dimethyl-5-(4-methylpiperazine-1-carbonyl)benzenesulfonamide

2-methoxy-N,N-dimethyl-5-(4-methylpiperazine-1-carbonyl)benzenesulfonamide (PubChem CID 17027735) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is 2-methoxy-N,N-dimethyl-5-(4-methylpiperazine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N,N-dimethyl-5-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
PubChem CID17027735
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name2-methoxy-N,N-dimethyl-5-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCOc1ccc(C(=O)N2CCN(C)CC2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C15H23N3O4S/c1-16(2)23(20,21)14-11-12(5-6-13(14)22-4)15(19)18-9-7-17(3)8-10-18/h5-6,11H,7-10H2,1-4H3
InChIKeyBVLSZZZIYPSHSM-UHFFFAOYSA-N
XLogP0.33
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N,N-dimethyl-5-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]benzenesulfonamide
CID 55587046
2-[4-[3-(dimethylsulfamoyl)-4-methoxybenzoyl]piperazin-1-yl]-N-ethylacetamide
CID 55566418
2-methoxy-5-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 55917751
2-bromo-N,N-dimethyl-5-(4-methyl-1,4-diazepane-1-carbonyl)benzenesulfonamide
CID 78769697
2-methoxy-N,N-dimethyl-5-(3-phenylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 60605685
3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 17027721
2-methoxy-N,N-dimethyl-5-(3-methyl-3-phenylpiperidine-1-carbonyl)benzenesulfonamide
CID 139000603
(4-methoxy-3-propan-2-ylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 58015998
5-(5-bromo-2,3-dihydroindole-1-carbonyl)-2-methoxy-N,N-dimethylbenzenesulfonamide
CID 52770474
N-benzyl-2-methoxy-N-methyl-5-(4-propan-2-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 55589275
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 95178992
5-benzoyl-2-methoxy-N,N-dimethylbenzenesulfonamide
CID 15922038

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,N-dimethyl-5-(4-methylpiperazine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 2-methoxy-N,N-dimethyl-5-(4-methylpiperazine-1-carbonyl)benzenesulfonamide (CID 17027735) is 2-methoxy-N,N-dimethyl-5-(4-methylpiperazine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N,N-dimethyl-5-(4-methylpiperazine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-N,N-dimethyl-5-(4-methylpiperazine-1-carbonyl)benzenesulfonamide is COc1ccc(C(=O)N2CCN(C)CC2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 2-methoxy-N,N-dimethyl-5-(4-methylpiperazine-1-carbonyl)benzenesulfonamide?
The InChIKey is BVLSZZZIYPSHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-16(2)23(20,21)14-11-12(5-6-13(14)22-4)15(19)18-9-7-17(3)8-10-18/h5-6,11H,7-10H2,1-4H3.
What are the key properties of 2-methoxy-N,N-dimethyl-5-(4-methylpiperazine-1-carbonyl)benzenesulfonamide?
2-methoxy-N,N-dimethyl-5-(4-methylpiperazine-1-carbonyl)benzenesulfonamide has a molecular weight of 341.43 g/mol, XLogP of 0.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,N-dimethyl-5-(4-methylpiperazine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 17027735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).