N-[3-(dimethylamino)phenyl]-4-(methylamino)benzenesulfonamide

C15H19N3O2S — CID 115378257

IUPACN-[3-(dimethylamino)phenyl]-4-(methylamino)benzenesulfonamide
SMILESCNc1ccc(S(=O)(=O)Nc2cccc(N(C)C)c2)cc1
InChIInChI=1S/C15H19N3O2S/c1-16-12-7-9-15(10-8-12)21(19,20)17-13-5-4-6-14(11-13)18(2)3/h4-11,16-17H,1-3H3
InChIKeyJQXNNWYHRLLVOB-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.60
Rot. Bonds5

About N-[3-(dimethylamino)phenyl]-4-(methylamino)benzenesulfonamide

N-[3-(dimethylamino)phenyl]-4-(methylamino)benzenesulfonamide (PubChem CID 115378257) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[3-(dimethylamino)phenyl]-4-(methylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)phenyl]-4-(methylamino)benzenesulfonamide
PubChem CID115378257
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-[3-(dimethylamino)phenyl]-4-(methylamino)benzenesulfonamide
SMILESCNc1ccc(S(=O)(=O)Nc2cccc(N(C)C)c2)cc1
InChIInChI=1S/C15H19N3O2S/c1-16-12-7-9-15(10-8-12)21(19,20)17-13-5-4-6-14(11-13)18(2)3/h4-11,16-17H,1-3H3
InChIKeyJQXNNWYHRLLVOB-UHFFFAOYSA-N
XLogP2.60
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_H(6)', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-[3-(dimethylamino)phenyl]pyridine-3-sulfonamide
CID 115375852
4-methyl-N-[3-[N-methyl-4-(N-methylanilino)anilino]phenyl]benzenesulfonamide
CID 54015900
6-cyano-N-[3-(dimethylamino)phenyl]pyridine-3-sulfonamide
CID 114613901
N-[4-[[3-[methyl(methylsulfonyl)amino]phenyl]sulfamoyl]phenyl]acetamide
CID 1306752
5-chloro-N-[3-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 115378925
5-[[3-(dimethylamino)phenyl]sulfamoyl]furan-2-carboxylic acid
CID 115376501
N-(3-bromo-4-methylphenyl)-4-(methylamino)benzenesulfonamide
CID 63334960
N-(3-chloro-4-methylphenyl)-4-(methylamino)benzenesulfonamide
CID 43332040
N-[3-(dipropylamino)phenyl]-4-methylbenzenesulfonamide
CID 139908024
N-(4-tert-butylphenyl)-5-[[3-(dimethylamino)phenyl]sulfamoyl]-1,3-dihydroisoindole-2-carboxamide
CID 118074496
N-[4-(dimethylamino)phenyl]pyrene-2-sulfonamide
CID 100936136
N-methyl-4-(methylamino)benzenesulfonamide
CID 15049669

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)phenyl]-4-(methylamino)benzenesulfonamide?
The IUPAC name of N-[3-(dimethylamino)phenyl]-4-(methylamino)benzenesulfonamide (CID 115378257) is N-[3-(dimethylamino)phenyl]-4-(methylamino)benzenesulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)phenyl]-4-(methylamino)benzenesulfonamide?
The canonical SMILES for N-[3-(dimethylamino)phenyl]-4-(methylamino)benzenesulfonamide is CNc1ccc(S(=O)(=O)Nc2cccc(N(C)C)c2)cc1.
What is the InChIKey of N-[3-(dimethylamino)phenyl]-4-(methylamino)benzenesulfonamide?
The InChIKey is JQXNNWYHRLLVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-16-12-7-9-15(10-8-12)21(19,20)17-13-5-4-6-14(11-13)18(2)3/h4-11,16-17H,1-3H3.
What are the key properties of N-[3-(dimethylamino)phenyl]-4-(methylamino)benzenesulfonamide?
N-[3-(dimethylamino)phenyl]-4-(methylamino)benzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)phenyl]-4-(methylamino)benzenesulfonamide is sourced from PubChem (CID 115378257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).