4-amino-N,N-dimethyl-3-(pentylamino)benzenesulfonamide

C13H23N3O2S — CID 82899819

IUPAC4-amino-N,N-dimethyl-3-(pentylamino)benzenesulfonamide
SMILESCCCCCNc1cc(S(=O)(=O)N(C)C)ccc1N
InChIInChI=1S/C13H23N3O2S/c1-4-5-6-9-15-13-10-11(7-8-12(13)14)19(17,18)16(2)3/h7-8,10,15H,4-6,9,14H2,1-3H3
InChIKeyMAHQIWRRQPCJKK-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.12
Rot. Bonds7

About 4-amino-N,N-dimethyl-3-(pentylamino)benzenesulfonamide

4-amino-N,N-dimethyl-3-(pentylamino)benzenesulfonamide (PubChem CID 82899819) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 4-amino-N,N-dimethyl-3-(pentylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N,N-dimethyl-3-(pentylamino)benzenesulfonamide
PubChem CID82899819
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name4-amino-N,N-dimethyl-3-(pentylamino)benzenesulfonamide
SMILESCCCCCNc1cc(S(=O)(=O)N(C)C)ccc1N
InChIInChI=1S/C13H23N3O2S/c1-4-5-6-9-15-13-10-11(7-8-12(13)14)19(17,18)16(2)3/h7-8,10,15H,4-6,9,14H2,1-3H3
InChIKeyMAHQIWRRQPCJKK-UHFFFAOYSA-N
XLogP2.12
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N,N-dimethyl-3-(3-propoxypropylamino)benzenesulfonamide
CID 82942122
4-amino-3-(3-methoxypropylamino)-N,N-dimethylbenzenesulfonamide
CID 82898353
4-amino-3-(2-hydroxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 82899068
4-amino-3-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 82900124
4-amino-3-[2-(methanesulfonamido)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 82899992
4-amino-3-[(2-hydroxy-2-methylpropyl)amino]-N,N-dimethylbenzenesulfonamide
CID 82900510
4-amino-3-(3-ethylpentan-3-ylamino)-N,N-dimethylbenzenesulfonamide
CID 82902002
3-(heptylamino)-N,N-dimethylbenzenesulfonamide
CID 43715567
4-amino-3-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylbenzenesulfonamide
CID 82902467
3-amino-4-(2-aminoethylamino)-N,N-dimethylbenzenesulfonamide
CID 62483234
4-amino-3-hexoxy-N,N-dimethylbenzenesulfonamide
CID 82901534
4-amino-3-heptoxy-N,N-dimethylbenzenesulfonamide
CID 82902494

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-dimethyl-3-(pentylamino)benzenesulfonamide?
The IUPAC name of 4-amino-N,N-dimethyl-3-(pentylamino)benzenesulfonamide (CID 82899819) is 4-amino-N,N-dimethyl-3-(pentylamino)benzenesulfonamide.
What is the SMILES notation for 4-amino-N,N-dimethyl-3-(pentylamino)benzenesulfonamide?
The canonical SMILES for 4-amino-N,N-dimethyl-3-(pentylamino)benzenesulfonamide is CCCCCNc1cc(S(=O)(=O)N(C)C)ccc1N.
What is the InChIKey of 4-amino-N,N-dimethyl-3-(pentylamino)benzenesulfonamide?
The InChIKey is MAHQIWRRQPCJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-4-5-6-9-15-13-10-11(7-8-12(13)14)19(17,18)16(2)3/h7-8,10,15H,4-6,9,14H2,1-3H3.
What are the key properties of 4-amino-N,N-dimethyl-3-(pentylamino)benzenesulfonamide?
4-amino-N,N-dimethyl-3-(pentylamino)benzenesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-dimethyl-3-(pentylamino)benzenesulfonamide is sourced from PubChem (CID 82899819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).