(4-aminophenyl)sulfonyl-heptylsulfonylazanide

C13H21N2O4S2- — CID 58108215

IUPAC(4-aminophenyl)sulfonyl-heptylsulfonylazanide
SMILESCCCCCCCS(=O)(=O)[N-]S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C13H21N2O4S2/c1-2-3-4-5-6-11-20(16,17)15-21(18,19)13-9-7-12(14)8-10-13/h7-10H,2-6,11,14H2,1H3/q-1
InChIKeyCWDZQUNGQBKZRT-UHFFFAOYSA-N
MW333.45 g/mol
LogP2.63
Rot. Bonds9

About (4-aminophenyl)sulfonyl-heptylsulfonylazanide

(4-aminophenyl)sulfonyl-heptylsulfonylazanide (PubChem CID 58108215) has the molecular formula C13H21N2O4S2- and a molecular weight of 333.45 g/mol. Its IUPAC name is (4-aminophenyl)sulfonyl-heptylsulfonylazanide.

Molecular Properties

Compound Name(4-aminophenyl)sulfonyl-heptylsulfonylazanide
PubChem CID58108215
Molecular FormulaC13H21N2O4S2-
Molecular Weight333.45 g/mol
Exact Mass333.09
IUPAC Name(4-aminophenyl)sulfonyl-heptylsulfonylazanide
SMILESCCCCCCCS(=O)(=O)[N-]S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C13H21N2O4S2/c1-2-3-4-5-6-11-20(16,17)15-21(18,19)13-9-7-12(14)8-10-13/h7-10H,2-6,11,14H2,1H3/q-1
InChIKeyCWDZQUNGQBKZRT-UHFFFAOYSA-N
XLogP2.63
TPSA108.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-octadecylbenzenesulfonamide;hydrochloride
CID 45050161
4-amino-N-octan-2-ylbenzenesulfonamide
CID 61476612
N-(4-aminophenyl)sulfonyloctadecanamide;titanium
CID 87794526
4-hexadecylsulfonylbenzenesulfonate
CID 4569543
decylsulfonyl(trifluoromethylsulfonyl)azanide
CID 59998584
4-aminobenzenesulfonic acid;benzenesulfonic acid;bis(dodecane);oxotitanium(2+)
CID 87738390
3-fluoro-4-hexylsulfonylaniline
CID 81191687
1-pentylsulfonyl-4-(4-pentylsulfonylphenyl)benzene
CID 160503976
1-dodecyl-4-tetradecylsulfonylbenzene
CID 173458099
1-ethyl-4-octylsulfonylbenzene
CID 123657292
N-(4-aminophenyl)sulfonyloctadecanamide;sulfane;sulfuric acid
CID 70524364
4-[4-(butylamino)phenyl]sulfonylaniline
CID 73012667

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)sulfonyl-heptylsulfonylazanide?
The IUPAC name of (4-aminophenyl)sulfonyl-heptylsulfonylazanide (CID 58108215) is (4-aminophenyl)sulfonyl-heptylsulfonylazanide.
What is the SMILES notation for (4-aminophenyl)sulfonyl-heptylsulfonylazanide?
The canonical SMILES for (4-aminophenyl)sulfonyl-heptylsulfonylazanide is CCCCCCCS(=O)(=O)[N-]S(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of (4-aminophenyl)sulfonyl-heptylsulfonylazanide?
The InChIKey is CWDZQUNGQBKZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N2O4S2/c1-2-3-4-5-6-11-20(16,17)15-21(18,19)13-9-7-12(14)8-10-13/h7-10H,2-6,11,14H2,1H3/q-1.
What are the key properties of (4-aminophenyl)sulfonyl-heptylsulfonylazanide?
(4-aminophenyl)sulfonyl-heptylsulfonylazanide has a molecular weight of 333.45 g/mol, XLogP of 2.63, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)sulfonyl-heptylsulfonylazanide is sourced from PubChem (CID 58108215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).