4-amino-2-(aminomethyl)benzenesulfonamide

C7H11N3O2S — CID 123992027

IUPAC4-amino-2-(aminomethyl)benzenesulfonamide
SMILESNCc1cc(N)ccc1S(N)(=O)=O
InChIInChI=1S/C7H11N3O2S/c8-4-5-3-6(9)1-2-7(5)13(10,11)12/h1-3H,4,8-9H2,(H2,10,11,12)
InChIKeyVCCIMJCPPTZTLJ-UHFFFAOYSA-N
MW201.25 g/mol
LogP-0.63
Rot. Bonds2

About 4-amino-2-(aminomethyl)benzenesulfonamide

4-amino-2-(aminomethyl)benzenesulfonamide (PubChem CID 123992027) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is 4-amino-2-(aminomethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-(aminomethyl)benzenesulfonamide
PubChem CID123992027
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name4-amino-2-(aminomethyl)benzenesulfonamide
SMILESNCc1cc(N)ccc1S(N)(=O)=O
InChIInChI=1S/C7H11N3O2S/c8-4-5-3-6(9)1-2-7(5)13(10,11)12/h1-3H,4,8-9H2,(H2,10,11,12)
InChIKeyVCCIMJCPPTZTLJ-UHFFFAOYSA-N
XLogP-0.63
TPSA112.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 5-0.63
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

Sulfanilamide
CID 5333
5-amino-N,2-dimethylbenzene-1-sulfonamide
CID 235521
4-amino-N-methylbenzene-1-sulfonamide
CID 74368
5-Amino-2,N,N-trimethyl-benzenesulfonamide
CID 235529
4-amino-N-benzylbenzene-1-sulfonamide
CID 66909
4-[[(4-Aminophenyl)sulfonylamino]methyl]benzenesulfonamide
CID 4422372
4-Methanesulfonyl-3-methylaniline
CID 825918
4-amino-N-propylbenzenesulfonamide
CID 2065546
4-[2-[(4-Aminophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 9998322
N-(3-(3-aminopropyl)phenyl)benzenesulfonamide
CID 11849197
N-phenyl-3-(2-aminoethyl)benzenesulfonamide
CID 11849794
N-[4-(2-aminoethyl)phenyl]Benzenesulfonamide
CID 15281645

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(aminomethyl)benzenesulfonamide?
The IUPAC name of 4-amino-2-(aminomethyl)benzenesulfonamide (CID 123992027) is 4-amino-2-(aminomethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-(aminomethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-(aminomethyl)benzenesulfonamide is NCc1cc(N)ccc1S(N)(=O)=O.
What is the InChIKey of 4-amino-2-(aminomethyl)benzenesulfonamide?
The InChIKey is VCCIMJCPPTZTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c8-4-5-3-6(9)1-2-7(5)13(10,11)12/h1-3H,4,8-9H2,(H2,10,11,12).
What are the key properties of 4-amino-2-(aminomethyl)benzenesulfonamide?
4-amino-2-(aminomethyl)benzenesulfonamide has a molecular weight of 201.25 g/mol, XLogP of -0.63, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(aminomethyl)benzenesulfonamide is sourced from PubChem (CID 123992027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).