4-[3-(cyclopropylamino)-4-nitrophenyl]-N,N-dimethylpiperazine-1-sulfonamide

C15H23N5O4S — CID 2925722

IUPAC4-[3-(cyclopropylamino)-4-nitrophenyl]-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(NC3CC3)c2)CC1
InChIInChI=1S/C15H23N5O4S/c1-17(2)25(23,24)19-9-7-18(8-10-19)13-5-6-15(20(21)22)14(11-13)16-12-3-4-12/h5-6,11-12,16H,3-4,7-10H2,1-2H3
InChIKeyWDVHUQNTAAUELS-UHFFFAOYSA-N
MW369.45 g/mol
LogP1.10
Rot. Bonds6

About 4-[3-(cyclopropylamino)-4-nitrophenyl]-N,N-dimethylpiperazine-1-sulfonamide

4-[3-(cyclopropylamino)-4-nitrophenyl]-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 2925722) has the molecular formula C15H23N5O4S and a molecular weight of 369.45 g/mol. Its IUPAC name is 4-[3-(cyclopropylamino)-4-nitrophenyl]-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[3-(cyclopropylamino)-4-nitrophenyl]-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID2925722
Molecular FormulaC15H23N5O4S
Molecular Weight369.45 g/mol
Exact Mass369.15
IUPAC Name4-[3-(cyclopropylamino)-4-nitrophenyl]-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(NC3CC3)c2)CC1
InChIInChI=1S/C15H23N5O4S/c1-17(2)25(23,24)19-9-7-18(8-10-19)13-5-6-15(20(21)22)14(11-13)16-12-3-4-12/h5-6,11-12,16H,3-4,7-10H2,1-2H3
InChIKeyWDVHUQNTAAUELS-UHFFFAOYSA-N
XLogP1.10
TPSA99.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 51.10
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclopropylamino)-4-nitrophenyl]-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-[3-(cyclopropylamino)-4-nitrophenyl]-N,N-dimethylpiperazine-1-sulfonamide (CID 2925722) is 4-[3-(cyclopropylamino)-4-nitrophenyl]-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-[3-(cyclopropylamino)-4-nitrophenyl]-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-[3-(cyclopropylamino)-4-nitrophenyl]-N,N-dimethylpiperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(NC3CC3)c2)CC1.
What is the InChIKey of 4-[3-(cyclopropylamino)-4-nitrophenyl]-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is WDVHUQNTAAUELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O4S/c1-17(2)25(23,24)19-9-7-18(8-10-19)13-5-6-15(20(21)22)14(11-13)16-12-3-4-12/h5-6,11-12,16H,3-4,7-10H2,1-2H3.
What are the key properties of 4-[3-(cyclopropylamino)-4-nitrophenyl]-N,N-dimethylpiperazine-1-sulfonamide?
4-[3-(cyclopropylamino)-4-nitrophenyl]-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 369.45 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclopropylamino)-4-nitrophenyl]-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 2925722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).