4-(dipropylamino)-N-methyl-3,5-dinitro-N-phenylbenzenesulfonamide

C19H24N4O6S — CID 11282001

IUPAC4-(dipropylamino)-N-methyl-3,5-dinitro-N-phenylbenzenesulfonamide
SMILESCCCN(CCC)c1c([N+](=O)[O-])cc(S(=O)(=O)N(C)c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H24N4O6S/c1-4-11-21(12-5-2)19-17(22(24)25)13-16(14-18(19)23(26)27)30(28,29)20(3)15-9-7-6-8-10-15/h6-10,13-14H,4-5,11-12H2,1-3H3
InChIKeyKCQIZWWVFUPGSJ-UHFFFAOYSA-N
MW436.49 g/mol
LogP3.95
Rot. Bonds10

About 4-(dipropylamino)-N-methyl-3,5-dinitro-N-phenylbenzenesulfonamide

4-(dipropylamino)-N-methyl-3,5-dinitro-N-phenylbenzenesulfonamide (PubChem CID 11282001) has the molecular formula C19H24N4O6S and a molecular weight of 436.49 g/mol. Its IUPAC name is 4-(dipropylamino)-N-methyl-3,5-dinitro-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-(dipropylamino)-N-methyl-3,5-dinitro-N-phenylbenzenesulfonamide
PubChem CID11282001
Molecular FormulaC19H24N4O6S
Molecular Weight436.49 g/mol
Exact Mass436.14
IUPAC Name4-(dipropylamino)-N-methyl-3,5-dinitro-N-phenylbenzenesulfonamide
SMILESCCCN(CCC)c1c([N+](=O)[O-])cc(S(=O)(=O)N(C)c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H24N4O6S/c1-4-11-21(12-5-2)19-17(22(24)25)13-16(14-18(19)23(26)27)30(28,29)20(3)15-9-7-6-8-10-15/h6-10,13-14H,4-5,11-12H2,1-3H3
InChIKeyKCQIZWWVFUPGSJ-UHFFFAOYSA-N
XLogP3.95
TPSA126.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-(dipropylamino)-N-methyl-3,5-dinitro-N-phenylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(dipropylamino)-N-methyl-3,5-dinitro-N-phenylbenzenesulfonamide?
The IUPAC name of 4-(dipropylamino)-N-methyl-3,5-dinitro-N-phenylbenzenesulfonamide (CID 11282001) is 4-(dipropylamino)-N-methyl-3,5-dinitro-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-(dipropylamino)-N-methyl-3,5-dinitro-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-(dipropylamino)-N-methyl-3,5-dinitro-N-phenylbenzenesulfonamide is CCCN(CCC)c1c([N+](=O)[O-])cc(S(=O)(=O)N(C)c2ccccc2)cc1[N+](=O)[O-].
What is the InChIKey of 4-(dipropylamino)-N-methyl-3,5-dinitro-N-phenylbenzenesulfonamide?
The InChIKey is KCQIZWWVFUPGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O6S/c1-4-11-21(12-5-2)19-17(22(24)25)13-16(14-18(19)23(26)27)30(28,29)20(3)15-9-7-6-8-10-15/h6-10,13-14H,4-5,11-12H2,1-3H3.
What are the key properties of 4-(dipropylamino)-N-methyl-3,5-dinitro-N-phenylbenzenesulfonamide?
4-(dipropylamino)-N-methyl-3,5-dinitro-N-phenylbenzenesulfonamide has a molecular weight of 436.49 g/mol, XLogP of 3.95, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipropylamino)-N-methyl-3,5-dinitro-N-phenylbenzenesulfonamide is sourced from PubChem (CID 11282001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).