3-amino-3-hydroxy-N-phenylpropane-1-sulfonamide;hydrochloride

C9H15ClN2O3S — CID 67782321

IUPAC3-amino-3-hydroxy-N-phenylpropane-1-sulfonamide;hydrochloride
SMILESCl.NC(O)CCS(=O)(=O)Nc1ccccc1
InChIInChI=1S/C9H14N2O3S.ClH/c10-9(12)6-7-15(13,14)11-8-4-2-1-3-5-8;/h1-5,9,11-12H,6-7,10H2;1H
InChIKeyXBAJNCDNDSOJIB-UHFFFAOYSA-N
MW266.75 g/mol
LogP0.52
Rot. Bonds5

About 3-amino-3-hydroxy-N-phenylpropane-1-sulfonamide;hydrochloride

3-amino-3-hydroxy-N-phenylpropane-1-sulfonamide;hydrochloride (PubChem CID 67782321) has the molecular formula C9H15ClN2O3S and a molecular weight of 266.75 g/mol. Its IUPAC name is 3-amino-3-hydroxy-N-phenylpropane-1-sulfonamide;hydrochloride.

Molecular Properties

Compound Name3-amino-3-hydroxy-N-phenylpropane-1-sulfonamide;hydrochloride
PubChem CID67782321
Molecular FormulaC9H15ClN2O3S
Molecular Weight266.75 g/mol
Exact Mass266.05
IUPAC Name3-amino-3-hydroxy-N-phenylpropane-1-sulfonamide;hydrochloride
SMILESCl.NC(O)CCS(=O)(=O)Nc1ccccc1
InChIInChI=1S/C9H14N2O3S.ClH/c10-9(12)6-7-15(13,14)11-8-4-2-1-3-5-8;/h1-5,9,11-12H,6-7,10H2;1H
InChIKeyXBAJNCDNDSOJIB-UHFFFAOYSA-N
XLogP0.52
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 68792270
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3-bromo-N-phenylpropane-1-sulfonamide
CID 118418114
4-chloro-N-phenylbutane-1-sulfonamide
CID 116814759
2-ethyl-N-[2-(phenylsulfamoyl)ethyl]butanamide
CID 110408207
N-(2-amino-2-phenylethyl)-4-(propylsulfonylamino)benzamide;hydrochloride
CID 119528189
ethyl 5-(phenylsulfamoyl)pentanoate
CID 20780460
3-amino-3-anilinopropan-1-ol
CID 174697333
1-O-ethyl 4-O-[2-(phenylsulfamoyl)ethyl] benzene-1,4-dicarboxylate
CID 174435852
benzene;(sulfamoylamino)benzene
CID 174742453
phenylsulfamic acid
CID 160771078
N-phenyl-2-(propylsulfamoylamino)ethanesulfonamide
CID 110606791

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxy-N-phenylpropane-1-sulfonamide;hydrochloride?
The IUPAC name of 3-amino-3-hydroxy-N-phenylpropane-1-sulfonamide;hydrochloride (CID 67782321) is 3-amino-3-hydroxy-N-phenylpropane-1-sulfonamide;hydrochloride.
What is the SMILES notation for 3-amino-3-hydroxy-N-phenylpropane-1-sulfonamide;hydrochloride?
The canonical SMILES for 3-amino-3-hydroxy-N-phenylpropane-1-sulfonamide;hydrochloride is Cl.NC(O)CCS(=O)(=O)Nc1ccccc1.
What is the InChIKey of 3-amino-3-hydroxy-N-phenylpropane-1-sulfonamide;hydrochloride?
The InChIKey is XBAJNCDNDSOJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S.ClH/c10-9(12)6-7-15(13,14)11-8-4-2-1-3-5-8;/h1-5,9,11-12H,6-7,10H2;1H.
What are the key properties of 3-amino-3-hydroxy-N-phenylpropane-1-sulfonamide;hydrochloride?
3-amino-3-hydroxy-N-phenylpropane-1-sulfonamide;hydrochloride has a molecular weight of 266.75 g/mol, XLogP of 0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxy-N-phenylpropane-1-sulfonamide;hydrochloride is sourced from PubChem (CID 67782321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).