N-[4-[(2-amino-1,3-thiazol-5-yl)sulfonyl]phenyl]hydroxylamine

C9H9N3O3S2 — CID 44564474

IUPACN-[4-[(2-amino-1,3-thiazol-5-yl)sulfonyl]phenyl]hydroxylamine
SMILESNc1ncc(S(=O)(=O)c2ccc(NO)cc2)s1
InChIInChI=1S/C9H9N3O3S2/c10-9-11-5-8(16-9)17(14,15)7-3-1-6(12-13)2-4-7/h1-5,12-13H,(H2,10,11)
InChIKeyBNSULIZOGSWZQX-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.36
Rot. Bonds3

About N-[4-[(2-amino-1,3-thiazol-5-yl)sulfonyl]phenyl]hydroxylamine

N-[4-[(2-amino-1,3-thiazol-5-yl)sulfonyl]phenyl]hydroxylamine (PubChem CID 44564474) has the molecular formula C9H9N3O3S2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[4-[(2-amino-1,3-thiazol-5-yl)sulfonyl]phenyl]hydroxylamine.

Molecular Properties

Compound NameN-[4-[(2-amino-1,3-thiazol-5-yl)sulfonyl]phenyl]hydroxylamine
PubChem CID44564474
Molecular FormulaC9H9N3O3S2
Molecular Weight271.32 g/mol
Exact Mass271.01
IUPAC NameN-[4-[(2-amino-1,3-thiazol-5-yl)sulfonyl]phenyl]hydroxylamine
SMILESNc1ncc(S(=O)(=O)c2ccc(NO)cc2)s1
InChIInChI=1S/C9H9N3O3S2/c10-9-11-5-8(16-9)17(14,15)7-3-1-6(12-13)2-4-7/h1-5,12-13H,(H2,10,11)
InChIKeyBNSULIZOGSWZQX-UHFFFAOYSA-N
XLogP1.36
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-amino-1,3-thiazol-5-yl)sulfonyl]phenyl]hydroxylamine?
The IUPAC name of N-[4-[(2-amino-1,3-thiazol-5-yl)sulfonyl]phenyl]hydroxylamine (CID 44564474) is N-[4-[(2-amino-1,3-thiazol-5-yl)sulfonyl]phenyl]hydroxylamine.
What is the SMILES notation for N-[4-[(2-amino-1,3-thiazol-5-yl)sulfonyl]phenyl]hydroxylamine?
The canonical SMILES for N-[4-[(2-amino-1,3-thiazol-5-yl)sulfonyl]phenyl]hydroxylamine is Nc1ncc(S(=O)(=O)c2ccc(NO)cc2)s1.
What is the InChIKey of N-[4-[(2-amino-1,3-thiazol-5-yl)sulfonyl]phenyl]hydroxylamine?
The InChIKey is BNSULIZOGSWZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3S2/c10-9-11-5-8(16-9)17(14,15)7-3-1-6(12-13)2-4-7/h1-5,12-13H,(H2,10,11).
What are the key properties of N-[4-[(2-amino-1,3-thiazol-5-yl)sulfonyl]phenyl]hydroxylamine?
N-[4-[(2-amino-1,3-thiazol-5-yl)sulfonyl]phenyl]hydroxylamine has a molecular weight of 271.32 g/mol, XLogP of 1.36, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-amino-1,3-thiazol-5-yl)sulfonyl]phenyl]hydroxylamine is sourced from PubChem (CID 44564474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).