N-(3-aminooxypropyl)-2-chlorobenzenesulfonamide

C9H13ClN2O3S — CID 39364398

IUPACN-(3-aminooxypropyl)-2-chlorobenzenesulfonamide
SMILESNOCCCNS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C9H13ClN2O3S/c10-8-4-1-2-5-9(8)16(13,14)12-6-3-7-15-11/h1-2,4-5,12H,3,6-7,11H2
InChIKeyKCZOPTVQYHNWMS-UHFFFAOYSA-N
MW264.73 g/mol
LogP0.90
Rot. Bonds6

About N-(3-aminooxypropyl)-2-chlorobenzenesulfonamide

N-(3-aminooxypropyl)-2-chlorobenzenesulfonamide (PubChem CID 39364398) has the molecular formula C9H13ClN2O3S and a molecular weight of 264.73 g/mol. Its IUPAC name is N-(3-aminooxypropyl)-2-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-aminooxypropyl)-2-chlorobenzenesulfonamide
PubChem CID39364398
Molecular FormulaC9H13ClN2O3S
Molecular Weight264.73 g/mol
Exact Mass264.03
IUPAC NameN-(3-aminooxypropyl)-2-chlorobenzenesulfonamide
SMILESNOCCCNS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C9H13ClN2O3S/c10-8-4-1-2-5-9(8)16(13,14)12-6-3-7-15-11/h1-2,4-5,12H,3,6-7,11H2
InChIKeyKCZOPTVQYHNWMS-UHFFFAOYSA-N
XLogP0.90
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromopropyl)-2-chlorobenzenesulfonamide
CID 43133713
2-chloro-N-[3-(2,2,2-trifluoroethoxy)propyl]benzenesulfonamide
CID 86931251
2-chloro-N-[4-(4-chlorophenoxy)butyl]benzenesulfonamide
CID 17475981
2-chloro-N-(6-iodohexyl)benzenesulfonamide
CID 114008764
2-chloro-N-[2-(4-chlorophenoxy)ethyl]benzenesulfonamide
CID 30171874
2-chloro-N-[3-(3-methylphenoxy)propyl]benzenesulfonamide
CID 46644070
2-chloro-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 110721154
2-chloro-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide
CID 7509950
4-[(2-chlorophenyl)sulfonylamino]-N'-hydroxybutanimidamide
CID 76948260
N-(3-amino-3-phenylpropyl)-2-chlorobenzenesulfonamide
CID 80505183
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 90938157
2-chloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
CID 3794536

Frequently Asked Questions

What is the IUPAC name of N-(3-aminooxypropyl)-2-chlorobenzenesulfonamide?
The IUPAC name of N-(3-aminooxypropyl)-2-chlorobenzenesulfonamide (CID 39364398) is N-(3-aminooxypropyl)-2-chlorobenzenesulfonamide.
What is the SMILES notation for N-(3-aminooxypropyl)-2-chlorobenzenesulfonamide?
The canonical SMILES for N-(3-aminooxypropyl)-2-chlorobenzenesulfonamide is NOCCCNS(=O)(=O)c1ccccc1Cl.
What is the InChIKey of N-(3-aminooxypropyl)-2-chlorobenzenesulfonamide?
The InChIKey is KCZOPTVQYHNWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O3S/c10-8-4-1-2-5-9(8)16(13,14)12-6-3-7-15-11/h1-2,4-5,12H,3,6-7,11H2.
What are the key properties of N-(3-aminooxypropyl)-2-chlorobenzenesulfonamide?
N-(3-aminooxypropyl)-2-chlorobenzenesulfonamide has a molecular weight of 264.73 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminooxypropyl)-2-chlorobenzenesulfonamide is sourced from PubChem (CID 39364398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).