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

C10H16N2O5S2 — CID 106340026

IUPAC3-hydroxy-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
SMILESCS(=O)(=O)NCCCNS(=O)(=O)c1cccc(O)c1
InChIInChI=1S/C10H16N2O5S2/c1-18(14,15)11-6-3-7-12-19(16,17)10-5-2-4-9(13)8-10/h2,4-5,8,11-13H,3,6-7H2,1H3
InChIKeyBGMFCEKUWJXLJA-UHFFFAOYSA-N
MW308.38 g/mol
LogP-0.39
Rot. Bonds7

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

3-hydroxy-N-[3-(methanesulfonamido)propyl]benzenesulfonamide (PubChem CID 106340026) has the molecular formula C10H16N2O5S2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-hydroxy-N-[3-(methanesulfonamido)propyl]benzenesulfonamide.

Molecular Properties

Compound Name3-hydroxy-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
PubChem CID106340026
Molecular FormulaC10H16N2O5S2
Molecular Weight308.38 g/mol
Exact Mass308.05
IUPAC Name3-hydroxy-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
SMILESCS(=O)(=O)NCCCNS(=O)(=O)c1cccc(O)c1
InChIInChI=1S/C10H16N2O5S2/c1-18(14,15)11-6-3-7-12-19(16,17)10-5-2-4-9(13)8-10/h2,4-5,8,11-13H,3,6-7H2,1H3
InChIKeyBGMFCEKUWJXLJA-UHFFFAOYSA-N
XLogP-0.39
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-N-(5-methylsulfanylpentyl)benzenesulfonamide
CID 114128483
3-(1-hydroxyethyl)-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106341917
3-amino-4-hydroxy-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106333265
3-(aminomethyl)-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106335796
3-acetyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43420736
3-hydroxy-N-methylbenzenesulfonamide
CID 20621554
N-[2-(3-hydroxyphenyl)ethyl]methanesulfonamide
CID 52911550
3-fluoro-N-[3-(methanesulfonamido)propyl]-4-methylbenzenesulfonamide
CID 39634777
N-(2,2-dimethylbutyl)-3-hydroxybenzenesulfonamide
CID 103463059
4-amino-3-bromo-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106333201
3-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 81265088
3-chloro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605915

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[3-(methanesulfonamido)propyl]benzenesulfonamide?
The IUPAC name of 3-hydroxy-N-[3-(methanesulfonamido)propyl]benzenesulfonamide (CID 106340026) is 3-hydroxy-N-[3-(methanesulfonamido)propyl]benzenesulfonamide.
What is the SMILES notation for 3-hydroxy-N-[3-(methanesulfonamido)propyl]benzenesulfonamide?
The canonical SMILES for 3-hydroxy-N-[3-(methanesulfonamido)propyl]benzenesulfonamide is CS(=O)(=O)NCCCNS(=O)(=O)c1cccc(O)c1.
What is the InChIKey of 3-hydroxy-N-[3-(methanesulfonamido)propyl]benzenesulfonamide?
The InChIKey is BGMFCEKUWJXLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5S2/c1-18(14,15)11-6-3-7-12-19(16,17)10-5-2-4-9(13)8-10/h2,4-5,8,11-13H,3,6-7H2,1H3.
What are the key properties of 3-hydroxy-N-[3-(methanesulfonamido)propyl]benzenesulfonamide?
3-hydroxy-N-[3-(methanesulfonamido)propyl]benzenesulfonamide has a molecular weight of 308.38 g/mol, XLogP of -0.39, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[3-(methanesulfonamido)propyl]benzenesulfonamide is sourced from PubChem (CID 106340026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).