3-amino-4-hydroxy-N-[3-(methanesulfonamido)propyl]benzenesulfonamide

C10H17N3O5S2 — CID 106333265

IUPAC3-amino-4-hydroxy-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
SMILESCS(=O)(=O)NCCCNS(=O)(=O)c1ccc(O)c(N)c1
InChIInChI=1S/C10H17N3O5S2/c1-19(15,16)12-5-2-6-13-20(17,18)8-3-4-10(14)9(11)7-8/h3-4,7,12-14H,2,5-6,11H2,1H3
InChIKeyQHWMCVVPNGATMW-UHFFFAOYSA-N
MW323.40 g/mol
LogP-0.81
Rot. Bonds7

About 3-amino-4-hydroxy-N-[3-(methanesulfonamido)propyl]benzenesulfonamide

3-amino-4-hydroxy-N-[3-(methanesulfonamido)propyl]benzenesulfonamide (PubChem CID 106333265) has the molecular formula C10H17N3O5S2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-amino-4-hydroxy-N-[3-(methanesulfonamido)propyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-hydroxy-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
PubChem CID106333265
Molecular FormulaC10H17N3O5S2
Molecular Weight323.40 g/mol
Exact Mass323.06
IUPAC Name3-amino-4-hydroxy-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
SMILESCS(=O)(=O)NCCCNS(=O)(=O)c1ccc(O)c(N)c1
InChIInChI=1S/C10H17N3O5S2/c1-19(15,16)12-5-2-6-13-20(17,18)8-3-4-10(14)9(11)7-8/h3-4,7,12-14H,2,5-6,11H2,1H3
InChIKeyQHWMCVVPNGATMW-UHFFFAOYSA-N
XLogP-0.81
TPSA138.59 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 5-0.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-hydroxy-N-pentylbenzenesulfonamide
CID 29051411
3-amino-4-hydroxy-N-(4-hydroxybutyl)benzenesulfonamide
CID 106840203
3-amino-4-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide
CID 43345879
4-amino-3-bromo-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106333201
3-amino-4-hydroxy-N-(3-propoxypropyl)benzenesulfonamide
CID 82941344
3-hydroxy-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106340026
3-amino-N-ethyl-4-hydroxybenzenesulfonamide;hydrochloride
CID 53432788
3-amino-4-hydroxy-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride
CID 53405187
4-amino-N-[3-(methanesulfonamido)propyl]-3-methoxybenzenesulfonamide
CID 106333246
3-amino-4-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 61237820
3-amino-4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 43348206
4-[(3-amino-4-hydroxyphenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 79376745

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-hydroxy-N-[3-(methanesulfonamido)propyl]benzenesulfonamide?
The IUPAC name of 3-amino-4-hydroxy-N-[3-(methanesulfonamido)propyl]benzenesulfonamide (CID 106333265) is 3-amino-4-hydroxy-N-[3-(methanesulfonamido)propyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-4-hydroxy-N-[3-(methanesulfonamido)propyl]benzenesulfonamide?
The canonical SMILES for 3-amino-4-hydroxy-N-[3-(methanesulfonamido)propyl]benzenesulfonamide is CS(=O)(=O)NCCCNS(=O)(=O)c1ccc(O)c(N)c1.
What is the InChIKey of 3-amino-4-hydroxy-N-[3-(methanesulfonamido)propyl]benzenesulfonamide?
The InChIKey is QHWMCVVPNGATMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O5S2/c1-19(15,16)12-5-2-6-13-20(17,18)8-3-4-10(14)9(11)7-8/h3-4,7,12-14H,2,5-6,11H2,1H3.
What are the key properties of 3-amino-4-hydroxy-N-[3-(methanesulfonamido)propyl]benzenesulfonamide?
3-amino-4-hydroxy-N-[3-(methanesulfonamido)propyl]benzenesulfonamide has a molecular weight of 323.40 g/mol, XLogP of -0.81, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-hydroxy-N-[3-(methanesulfonamido)propyl]benzenesulfonamide is sourced from PubChem (CID 106333265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).