N-[2-[(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)methyl]phenyl]hydroxylamine

C17H20N4O3S — CID 54302905

IUPACN-[2-[(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)methyl]phenyl]hydroxylamine
SMILESCC(C)S(=O)(=O)n1c(N)nc2ccc(Cc3ccccc3NO)cc21
InChIInChI=1S/C17H20N4O3S/c1-11(2)25(23,24)21-16-10-12(7-8-15(16)19-17(21)18)9-13-5-3-4-6-14(13)20-22/h3-8,10-11,20,22H,9H2,1-2H3,(H2,18,19)
InChIKeySFMGXTSYIITBEP-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.60
Rot. Bonds5

About N-[2-[(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)methyl]phenyl]hydroxylamine

N-[2-[(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)methyl]phenyl]hydroxylamine (PubChem CID 54302905) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[2-[(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)methyl]phenyl]hydroxylamine.

Molecular Properties

Compound NameN-[2-[(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)methyl]phenyl]hydroxylamine
PubChem CID54302905
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC NameN-[2-[(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)methyl]phenyl]hydroxylamine
SMILESCC(C)S(=O)(=O)n1c(N)nc2ccc(Cc3ccccc3NO)cc21
InChIInChI=1S/C17H20N4O3S/c1-11(2)25(23,24)21-16-10-12(7-8-15(16)19-17(21)18)9-13-5-3-4-6-14(13)20-22/h3-8,10-11,20,22H,9H2,1-2H3,(H2,18,19)
InChIKeySFMGXTSYIITBEP-UHFFFAOYSA-N
XLogP2.60
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.60
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-[2-[(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)methyl]phenyl]hydroxylamine?
The IUPAC name of N-[2-[(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)methyl]phenyl]hydroxylamine (CID 54302905) is N-[2-[(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)methyl]phenyl]hydroxylamine.
What is the SMILES notation for N-[2-[(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)methyl]phenyl]hydroxylamine?
The canonical SMILES for N-[2-[(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)methyl]phenyl]hydroxylamine is CC(C)S(=O)(=O)n1c(N)nc2ccc(Cc3ccccc3NO)cc21.
What is the InChIKey of N-[2-[(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)methyl]phenyl]hydroxylamine?
The InChIKey is SFMGXTSYIITBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-11(2)25(23,24)21-16-10-12(7-8-15(16)19-17(21)18)9-13-5-3-4-6-14(13)20-22/h3-8,10-11,20,22H,9H2,1-2H3,(H2,18,19).
What are the key properties of N-[2-[(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)methyl]phenyl]hydroxylamine?
N-[2-[(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)methyl]phenyl]hydroxylamine has a molecular weight of 360.44 g/mol, XLogP of 2.60, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)methyl]phenyl]hydroxylamine is sourced from PubChem (CID 54302905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).