6-amino-N-(2,3-dihydroxypropyl)-2,3-dimethylbenzenesulfonamide

C11H18N2O4S — CID 66177998

IUPAC6-amino-N-(2,3-dihydroxypropyl)-2,3-dimethylbenzenesulfonamide
SMILESCc1ccc(N)c(S(=O)(=O)NCC(O)CO)c1C
InChIInChI=1S/C11H18N2O4S/c1-7-3-4-10(12)11(8(7)2)18(16,17)13-5-9(15)6-14/h3-4,9,13-15H,5-6,12H2,1-2H3
InChIKeyQSAZYGJNWKUADB-UHFFFAOYSA-N
MW274.34 g/mol
LogP-0.48
Rot. Bonds5

About 6-amino-N-(2,3-dihydroxypropyl)-2,3-dimethylbenzenesulfonamide

6-amino-N-(2,3-dihydroxypropyl)-2,3-dimethylbenzenesulfonamide (PubChem CID 66177998) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is 6-amino-N-(2,3-dihydroxypropyl)-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name6-amino-N-(2,3-dihydroxypropyl)-2,3-dimethylbenzenesulfonamide
PubChem CID66177998
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name6-amino-N-(2,3-dihydroxypropyl)-2,3-dimethylbenzenesulfonamide
SMILESCc1ccc(N)c(S(=O)(=O)NCC(O)CO)c1C
InChIInChI=1S/C11H18N2O4S/c1-7-3-4-10(12)11(8(7)2)18(16,17)13-5-9(15)6-14/h3-4,9,13-15H,5-6,12H2,1-2H3
InChIKeyQSAZYGJNWKUADB-UHFFFAOYSA-N
XLogP-0.48
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 5-0.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-[(2S)-2-hydroxypropyl]-2,3-dimethylbenzenesulfonamide
CID 93081246
6-amino-N-(1,3-dihydroxypropan-2-yl)-2,3-dimethylbenzenesulfonamide
CID 65309956
6-amino-2,3-dimethyl-N-(3-methylbut-2-enyl)benzenesulfonamide
CID 106180563
4-amino-N-(2,3-dihydroxypropyl)-2,6-difluorobenzenesulfonamide
CID 66174828
6-amino-2,3-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 43258845
6-amino-2,3-dimethyl-N-(3-propoxypropyl)benzenesulfonamide
CID 82949733
6-amino-N-(4-bromophenyl)-2,3-dimethylbenzenesulfonamide
CID 43257564
6-amino-2,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 43257804
2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-6-methylbenzenesulfonamide
CID 63294178
6-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2,3-dimethylbenzenesulfonamide
CID 105413590
6-amino-2,3-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106894668
6-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,3-dimethylbenzenesulfonamide
CID 62844834

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2,3-dihydroxypropyl)-2,3-dimethylbenzenesulfonamide?
The IUPAC name of 6-amino-N-(2,3-dihydroxypropyl)-2,3-dimethylbenzenesulfonamide (CID 66177998) is 6-amino-N-(2,3-dihydroxypropyl)-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 6-amino-N-(2,3-dihydroxypropyl)-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for 6-amino-N-(2,3-dihydroxypropyl)-2,3-dimethylbenzenesulfonamide is Cc1ccc(N)c(S(=O)(=O)NCC(O)CO)c1C.
What is the InChIKey of 6-amino-N-(2,3-dihydroxypropyl)-2,3-dimethylbenzenesulfonamide?
The InChIKey is QSAZYGJNWKUADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-7-3-4-10(12)11(8(7)2)18(16,17)13-5-9(15)6-14/h3-4,9,13-15H,5-6,12H2,1-2H3.
What are the key properties of 6-amino-N-(2,3-dihydroxypropyl)-2,3-dimethylbenzenesulfonamide?
6-amino-N-(2,3-dihydroxypropyl)-2,3-dimethylbenzenesulfonamide has a molecular weight of 274.34 g/mol, XLogP of -0.48, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2,3-dihydroxypropyl)-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 66177998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).