4-aminobenzenesulfonamide

C6H8N2O2S — CID 5333

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IUPAC4-aminobenzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
InChIKeyFDDDEECHVMSUSB-UHFFFAOYSA-N
MW172.21 g/mol
LogP-0.08
Rot. Bonds1

About 4-aminobenzenesulfonamide

4-aminobenzenesulfonamide (PubChem CID 5333) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is 4-aminobenzenesulfonamide.

Molecular Properties

Compound Name4-aminobenzenesulfonamide
PubChem CID5333
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Name4-aminobenzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
InChIKeyFDDDEECHVMSUSB-UHFFFAOYSA-N
XLogP-0.08
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Dapsone
CID 2955
Sulfacetamide
CID 5320
Sulfanilic acid
CID 8479
Asulam
CID 18752
Sulfaguanidine
CID 5324
Sulfacarbamide
CID 11033
Sodium sulfanilate
CID 23664644
4-Nitrobenzenesulfonamide
CID 22784
2-Aminobenzenesulfonic acid
CID 6926
2-Aminobenzenesulfonamide
CID 72894
Benzenesulfonamide, 3-amino-
CID 7377
Sulfathiourea
CID 3000579

Frequently Asked Questions

What is the IUPAC name of 4-aminobenzenesulfonamide?
The IUPAC name of 4-aminobenzenesulfonamide (CID 5333) is 4-aminobenzenesulfonamide.
What is the SMILES notation for 4-aminobenzenesulfonamide?
The canonical SMILES for 4-aminobenzenesulfonamide is Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-aminobenzenesulfonamide?
The InChIKey is FDDDEECHVMSUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10).
What are the key properties of 4-aminobenzenesulfonamide?
4-aminobenzenesulfonamide has a molecular weight of 172.21 g/mol, XLogP of -0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobenzenesulfonamide is sourced from PubChem (CID 5333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).