N-(3-amino-2-hydroxypropyl)benzenesulfonamide

C9H14N2O3S — CID 18445287

IUPACN-(3-amino-2-hydroxypropyl)benzenesulfonamide
SMILESNCC(O)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C9H14N2O3S/c10-6-8(12)7-11-15(13,14)9-4-2-1-3-5-9/h1-5,8,11-12H,6-7,10H2
InChIKeyNLHOVGCTUQNSSD-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.72
Rot. Bonds5

About N-(3-amino-2-hydroxypropyl)benzenesulfonamide

N-(3-amino-2-hydroxypropyl)benzenesulfonamide (PubChem CID 18445287) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is N-(3-amino-2-hydroxypropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxypropyl)benzenesulfonamide
PubChem CID18445287
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC NameN-(3-amino-2-hydroxypropyl)benzenesulfonamide
SMILESNCC(O)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C9H14N2O3S/c10-6-8(12)7-11-15(13,14)9-4-2-1-3-5-9/h1-5,8,11-12H,6-7,10H2
InChIKeyNLHOVGCTUQNSSD-UHFFFAOYSA-N
XLogP-0.72
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxypropyl)benzenesulfonamide?
The IUPAC name of N-(3-amino-2-hydroxypropyl)benzenesulfonamide (CID 18445287) is N-(3-amino-2-hydroxypropyl)benzenesulfonamide.
What is the SMILES notation for N-(3-amino-2-hydroxypropyl)benzenesulfonamide?
The canonical SMILES for N-(3-amino-2-hydroxypropyl)benzenesulfonamide is NCC(O)CNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(3-amino-2-hydroxypropyl)benzenesulfonamide?
The InChIKey is NLHOVGCTUQNSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c10-6-8(12)7-11-15(13,14)9-4-2-1-3-5-9/h1-5,8,11-12H,6-7,10H2.
What are the key properties of N-(3-amino-2-hydroxypropyl)benzenesulfonamide?
N-(3-amino-2-hydroxypropyl)benzenesulfonamide has a molecular weight of 230.29 g/mol, XLogP of -0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxypropyl)benzenesulfonamide is sourced from PubChem (CID 18445287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).