2-amino-5-butoxybenzene-1,4-disulfonamide

C10H17N3O5S2 — CID 154394583

IUPAC2-amino-5-butoxybenzene-1,4-disulfonamide
SMILESCCCCOc1cc(S(N)(=O)=O)c(N)cc1S(N)(=O)=O
InChIInChI=1S/C10H17N3O5S2/c1-2-3-4-18-8-6-9(19(12,14)15)7(11)5-10(8)20(13,16)17/h5-6H,2-4,11H2,1H3,(H2,12,14,15)(H2,13,16,17)
InChIKeyJATGCWRNFHSNQT-UHFFFAOYSA-N
MW323.40 g/mol
LogP-0.26
Rot. Bonds6

About 2-amino-5-butoxybenzene-1,4-disulfonamide

2-amino-5-butoxybenzene-1,4-disulfonamide (PubChem CID 154394583) has the molecular formula C10H17N3O5S2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-amino-5-butoxybenzene-1,4-disulfonamide.

Molecular Properties

Compound Name2-amino-5-butoxybenzene-1,4-disulfonamide
PubChem CID154394583
Molecular FormulaC10H17N3O5S2
Molecular Weight323.40 g/mol
Exact Mass323.06
IUPAC Name2-amino-5-butoxybenzene-1,4-disulfonamide
SMILESCCCCOc1cc(S(N)(=O)=O)c(N)cc1S(N)(=O)=O
InChIInChI=1S/C10H17N3O5S2/c1-2-3-4-18-8-6-9(19(12,14)15)7(11)5-10(8)20(13,16)17/h5-6H,2-4,11H2,1H3,(H2,12,14,15)(H2,13,16,17)
InChIKeyJATGCWRNFHSNQT-UHFFFAOYSA-N
XLogP-0.26
TPSA155.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

2-butoxy-5-chlorobenzenesulfonamide
CID 62103523
4-methyl-2-pentoxybenzenesulfonamide
CID 50876723
2-hexoxy-5-methylbenzenesulfonamide
CID 43164499
3-butoxy-4-methyl-5-sulfamoylbenzoic acid
CID 119091613
4-butoxynaphthalene-1-sulfonamide
CID 43342503
4-amino-3-hexoxybenzenesulfonamide
CID 82898886
4-butoxy-3-methylbenzenesulfonamide
CID 43164510
2-octadecoxy-5-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide
CID 19993441
3-amino-4-butoxy-N-methylbenzenesulfonamide
CID 43449328
5-chloro-2-(3-ethoxypropoxy)benzenesulfonamide
CID 65180427
2,4-dibutoxybenzenesulfonic acid
CID 23120668
2-amino-4-fluoro-5-methoxybenzenesulfonamide
CID 18007448

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-butoxybenzene-1,4-disulfonamide?
The IUPAC name of 2-amino-5-butoxybenzene-1,4-disulfonamide (CID 154394583) is 2-amino-5-butoxybenzene-1,4-disulfonamide.
What is the SMILES notation for 2-amino-5-butoxybenzene-1,4-disulfonamide?
The canonical SMILES for 2-amino-5-butoxybenzene-1,4-disulfonamide is CCCCOc1cc(S(N)(=O)=O)c(N)cc1S(N)(=O)=O.
What is the InChIKey of 2-amino-5-butoxybenzene-1,4-disulfonamide?
The InChIKey is JATGCWRNFHSNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O5S2/c1-2-3-4-18-8-6-9(19(12,14)15)7(11)5-10(8)20(13,16)17/h5-6H,2-4,11H2,1H3,(H2,12,14,15)(H2,13,16,17).
What are the key properties of 2-amino-5-butoxybenzene-1,4-disulfonamide?
2-amino-5-butoxybenzene-1,4-disulfonamide has a molecular weight of 323.40 g/mol, XLogP of -0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-butoxybenzene-1,4-disulfonamide is sourced from PubChem (CID 154394583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).