5-amino-2-(2-ethylhexylamino)benzenesulfonamide

C14H25N3O2S — CID 107819806

IUPAC5-amino-2-(2-ethylhexylamino)benzenesulfonamide
SMILESCCCCC(CC)CNc1ccc(N)cc1S(N)(=O)=O
InChIInChI=1S/C14H25N3O2S/c1-3-5-6-11(4-2)10-17-13-8-7-12(15)9-14(13)20(16,18)19/h7-9,11,17H,3-6,10,15H2,1-2H3,(H2,16,18,19)
InChIKeyPCQXIZPQWKKYJQ-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.54
Rot. Bonds8

About 5-amino-2-(2-ethylhexylamino)benzenesulfonamide

5-amino-2-(2-ethylhexylamino)benzenesulfonamide (PubChem CID 107819806) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 5-amino-2-(2-ethylhexylamino)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-(2-ethylhexylamino)benzenesulfonamide
PubChem CID107819806
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name5-amino-2-(2-ethylhexylamino)benzenesulfonamide
SMILESCCCCC(CC)CNc1ccc(N)cc1S(N)(=O)=O
InChIInChI=1S/C14H25N3O2S/c1-3-5-6-11(4-2)10-17-13-8-7-12(15)9-14(13)20(16,18)19/h7-9,11,17H,3-6,10,15H2,1-2H3,(H2,16,18,19)
InChIKeyPCQXIZPQWKKYJQ-UHFFFAOYSA-N
XLogP2.54
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-(2-ethylhexylamino)-N-methylbenzenesulfonamide
CID 107819850
4-bromo-1-N-(2-ethylhexyl)benzene-1,2-diamine
CID 107819769
3-N-(2-ethylhexyl)benzene-1,3-diamine
CID 107819836
5-amino-2-(7-methyloctylamino)benzenesulfonamide
CID 107814721
1-N-(2-ethylhexyl)-4-methoxybenzene-1,2-diamine
CID 107819851
4-bromo-2-N-(2-ethylhexyl)benzene-1,2-diamine
CID 114004564
4-bromo-2-chloro-N-(2-ethylhexyl)aniline
CID 63489227
5-amino-2-(4-hydroxybutan-2-ylamino)benzenesulfonamide
CID 83177707
4-chloro-N-(2-ethylhexyl)-2-fluoroaniline
CID 55197144
5-amino-2-[3-(methanesulfonamido)propylamino]benzenesulfonamide
CID 106333697
2-bromo-N-(2-ethylhexyl)-4-(trifluoromethyl)aniline
CID 107816448
5-amino-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]benzenesulfonamide
CID 106348379

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-ethylhexylamino)benzenesulfonamide?
The IUPAC name of 5-amino-2-(2-ethylhexylamino)benzenesulfonamide (CID 107819806) is 5-amino-2-(2-ethylhexylamino)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-(2-ethylhexylamino)benzenesulfonamide?
The canonical SMILES for 5-amino-2-(2-ethylhexylamino)benzenesulfonamide is CCCCC(CC)CNc1ccc(N)cc1S(N)(=O)=O.
What is the InChIKey of 5-amino-2-(2-ethylhexylamino)benzenesulfonamide?
The InChIKey is PCQXIZPQWKKYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-3-5-6-11(4-2)10-17-13-8-7-12(15)9-14(13)20(16,18)19/h7-9,11,17H,3-6,10,15H2,1-2H3,(H2,16,18,19).
What are the key properties of 5-amino-2-(2-ethylhexylamino)benzenesulfonamide?
5-amino-2-(2-ethylhexylamino)benzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 2.54, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-ethylhexylamino)benzenesulfonamide is sourced from PubChem (CID 107819806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).