4-(2-methoxy-5-nitrobenzoyl)-N,N-dimethylpiperazine-1-sulfonamide

C14H20N4O6S — CID 33007439

IUPAC4-(2-methoxy-5-nitrobenzoyl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C14H20N4O6S/c1-15(2)25(22,23)17-8-6-16(7-9-17)14(19)12-10-11(18(20)21)4-5-13(12)24-3/h4-5,10H,6-9H2,1-3H3
InChIKeyRLQGNAGGIJXSPI-UHFFFAOYSA-N
MW372.40 g/mol
LogP0.17
Rot. Bonds5

About 4-(2-methoxy-5-nitrobenzoyl)-N,N-dimethylpiperazine-1-sulfonamide

4-(2-methoxy-5-nitrobenzoyl)-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 33007439) has the molecular formula C14H20N4O6S and a molecular weight of 372.40 g/mol. Its IUPAC name is 4-(2-methoxy-5-nitrobenzoyl)-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(2-methoxy-5-nitrobenzoyl)-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID33007439
Molecular FormulaC14H20N4O6S
Molecular Weight372.40 g/mol
Exact Mass372.11
IUPAC Name4-(2-methoxy-5-nitrobenzoyl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C14H20N4O6S/c1-15(2)25(22,23)17-8-6-16(7-9-17)14(19)12-10-11(18(20)21)4-5-13(12)24-3/h4-5,10H,6-9H2,1-3H3
InChIKeyRLQGNAGGIJXSPI-UHFFFAOYSA-N
XLogP0.17
TPSA113.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methoxy-5-propan-2-ylbenzoyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 110805042
4-(2-methoxy-5-methylbenzoyl)-N,N-dimethyl-1,4-diazepane-1-sulfonamide
CID 110810350
[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(2-methoxy-5-nitrophenyl)methanone
CID 26261350
1-[4-(2-methoxy-5-nitrobenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134021647
(4-hydroxy-4-methylpiperidin-1-yl)-(2-methoxy-5-nitrophenyl)methanone
CID 80701880
(2-methoxy-5-nitrophenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone
CID 9255492
(2-methoxy-5-nitrophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 134061269
(4-aminopiperidin-1-yl)-(2-methoxy-5-nitrophenyl)methanone;hydrochloride
CID 119376661
4-hydroxy-1-(2-methoxy-5-nitrobenzoyl)piperidine-4-carboxylic acid
CID 119250934
1-[4-(2-methoxy-5-nitrobenzoyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 30806889
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(5-nitro-2-phenoxyphenyl)methanone
CID 55755521
4-(5-chloro-4-iodo-2-methoxybenzoyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 46412003

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-5-nitrobenzoyl)-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-(2-methoxy-5-nitrobenzoyl)-N,N-dimethylpiperazine-1-sulfonamide (CID 33007439) is 4-(2-methoxy-5-nitrobenzoyl)-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-(2-methoxy-5-nitrobenzoyl)-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-(2-methoxy-5-nitrobenzoyl)-N,N-dimethylpiperazine-1-sulfonamide is COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(S(=O)(=O)N(C)C)CC1.
What is the InChIKey of 4-(2-methoxy-5-nitrobenzoyl)-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is RLQGNAGGIJXSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O6S/c1-15(2)25(22,23)17-8-6-16(7-9-17)14(19)12-10-11(18(20)21)4-5-13(12)24-3/h4-5,10H,6-9H2,1-3H3.
What are the key properties of 4-(2-methoxy-5-nitrobenzoyl)-N,N-dimethylpiperazine-1-sulfonamide?
4-(2-methoxy-5-nitrobenzoyl)-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 372.40 g/mol, XLogP of 0.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-5-nitrobenzoyl)-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 33007439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).