3-amino-4-hydroxy-5-nitrobenzenesulfonamide

C6H7N3O5S — CID 15476112

IUPAC3-amino-4-hydroxy-5-nitrobenzenesulfonamide
SMILESNc1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1O
InChIInChI=1S/C6H7N3O5S/c7-4-1-3(15(8,13)14)2-5(6(4)10)9(11)12/h1-2,10H,7H2,(H2,8,13,14)
InChIKeyNTPFHOUNALJKOJ-UHFFFAOYSA-N
MW233.20 g/mol
LogP-0.47
Rot. Bonds2

About 3-amino-4-hydroxy-5-nitrobenzenesulfonamide

3-amino-4-hydroxy-5-nitrobenzenesulfonamide (PubChem CID 15476112) has the molecular formula C6H7N3O5S and a molecular weight of 233.20 g/mol. Its IUPAC name is 3-amino-4-hydroxy-5-nitrobenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-hydroxy-5-nitrobenzenesulfonamide
PubChem CID15476112
Molecular FormulaC6H7N3O5S
Molecular Weight233.20 g/mol
Exact Mass233.01
IUPAC Name3-amino-4-hydroxy-5-nitrobenzenesulfonamide
SMILESNc1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1O
InChIInChI=1S/C6H7N3O5S/c7-4-1-3(15(8,13)14)2-5(6(4)10)9(11)12/h1-2,10H,7H2,(H2,8,13,14)
InChIKeyNTPFHOUNALJKOJ-UHFFFAOYSA-N
XLogP-0.47
TPSA149.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.20
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Aminophenol-4-sulfonamide
CID 66814
Benzenesulfonamide, 4-hydroxy-3-nitro-
CID 90631
Oryzalin metabolite OR-20
CID 139597735
2-Amino-6-nitro-1-phenol-4-sulfonic acid
CID 3844407
6-Amino-4-nitro-1-phenol-2-sulfonic acid
CID 4312530
2-Nitro-4-(pyrrolidine-1-sulfonyl)phenol
CID 3749282
N-(2-hydroxyphenyl)-3-nitrobenzenesulfonamide
CID 2835148
4-(4-Hydroxy-3,5-dinitrobenzenesulfonyl)-2,6-dinitrophenol
CID 3089804
3-(Acetylamino)-4-hydroxy-5-nitrobenzenesulfonic acid
CID 3762248
Sodium 4-hydroxy-3-nitrobenzenesulfonate
CID 12598197
3-amino-4-hydroxy-N,5-dinitrobenzenesulfonamide
CID 127052516
3,4-Dihydroxy-5-nitrobenzenesulfonamide
CID 145979169

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-hydroxy-5-nitrobenzenesulfonamide?
The IUPAC name of 3-amino-4-hydroxy-5-nitrobenzenesulfonamide (CID 15476112) is 3-amino-4-hydroxy-5-nitrobenzenesulfonamide.
What is the SMILES notation for 3-amino-4-hydroxy-5-nitrobenzenesulfonamide?
The canonical SMILES for 3-amino-4-hydroxy-5-nitrobenzenesulfonamide is Nc1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1O.
What is the InChIKey of 3-amino-4-hydroxy-5-nitrobenzenesulfonamide?
The InChIKey is NTPFHOUNALJKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O5S/c7-4-1-3(15(8,13)14)2-5(6(4)10)9(11)12/h1-2,10H,7H2,(H2,8,13,14).
What are the key properties of 3-amino-4-hydroxy-5-nitrobenzenesulfonamide?
3-amino-4-hydroxy-5-nitrobenzenesulfonamide has a molecular weight of 233.20 g/mol, XLogP of -0.47, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-hydroxy-5-nitrobenzenesulfonamide is sourced from PubChem (CID 15476112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).