4-amino-N-[3,5-bis(methylamino)phenyl]benzenesulfonamide

C14H18N4O2S — CID 10757046

IUPAC4-amino-N-[3,5-bis(methylamino)phenyl]benzenesulfonamide
SMILESCNc1cc(NC)cc(NS(=O)(=O)c2ccc(N)cc2)c1
InChIInChI=1S/C14H18N4O2S/c1-16-11-7-12(17-2)9-13(8-11)18-21(19,20)14-5-3-10(15)4-6-14/h3-9,16-18H,15H2,1-2H3
InChIKeyWZUGVUIDNNAJLO-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.15
Rot. Bonds5

About 4-amino-N-[3,5-bis(methylamino)phenyl]benzenesulfonamide

4-amino-N-[3,5-bis(methylamino)phenyl]benzenesulfonamide (PubChem CID 10757046) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-amino-N-[3,5-bis(methylamino)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[3,5-bis(methylamino)phenyl]benzenesulfonamide
PubChem CID10757046
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name4-amino-N-[3,5-bis(methylamino)phenyl]benzenesulfonamide
SMILESCNc1cc(NC)cc(NS(=O)(=O)c2ccc(N)cc2)c1
InChIInChI=1S/C14H18N4O2S/c1-16-11-7-12(17-2)9-13(8-11)18-21(19,20)14-5-3-10(15)4-6-14/h3-9,16-18H,15H2,1-2H3
InChIKeyWZUGVUIDNNAJLO-UHFFFAOYSA-N
XLogP2.15
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3,5-bis(methylamino)phenyl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[3,5-bis(methylamino)phenyl]benzenesulfonamide (CID 10757046) is 4-amino-N-[3,5-bis(methylamino)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[3,5-bis(methylamino)phenyl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[3,5-bis(methylamino)phenyl]benzenesulfonamide is CNc1cc(NC)cc(NS(=O)(=O)c2ccc(N)cc2)c1.
What is the InChIKey of 4-amino-N-[3,5-bis(methylamino)phenyl]benzenesulfonamide?
The InChIKey is WZUGVUIDNNAJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-16-11-7-12(17-2)9-13(8-11)18-21(19,20)14-5-3-10(15)4-6-14/h3-9,16-18H,15H2,1-2H3.
What are the key properties of 4-amino-N-[3,5-bis(methylamino)phenyl]benzenesulfonamide?
4-amino-N-[3,5-bis(methylamino)phenyl]benzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.15, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3,5-bis(methylamino)phenyl]benzenesulfonamide is sourced from PubChem (CID 10757046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).