2-amino-N-(2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide

C11H18N2O3S — CID 62333869

IUPAC2-amino-N-(2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(C)O)c(N)c1
InChIInChI=1S/C11H18N2O3S/c1-8-4-5-11(10(12)6-8)17(15,16)13(3)7-9(2)14/h4-6,9,14H,7,12H2,1-3H3
InChIKeyPNSGRYJQFGSRKS-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.58
Rot. Bonds4

About 2-amino-N-(2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide

2-amino-N-(2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide (PubChem CID 62333869) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide
PubChem CID62333869
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name2-amino-N-(2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(C)O)c(N)c1
InChIInChI=1S/C11H18N2O3S/c1-8-4-5-11(10(12)6-8)17(15,16)13(3)7-9(2)14/h4-6,9,14H,7,12H2,1-3H3
InChIKeyPNSGRYJQFGSRKS-UHFFFAOYSA-N
XLogP0.58
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-(2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide
CID 118740633
3-amino-4-[2-hydroxypropyl(methyl)sulfamoyl]benzoic acid
CID 81471129
2-amino-N,4-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81053835
1-(2-amino-4-methylphenyl)sulfonylpropan-2-ol
CID 107889485
N-(2-aminopropyl)-N,2,4-trimethylbenzenesulfonamide
CID 63766579
2-amino-N-(3,3-dimethylbutan-2-yl)-N,4-dimethylbenzenesulfonamide
CID 61112179
2-[(2-amino-4-methylphenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 61138984
2-amino-N-methoxy-4-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 114276959
2-amino-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzenesulfonamide
CID 61107779
2-amino-N-(furan-2-ylmethyl)-N,4-dimethylbenzenesulfonamide
CID 43526688
N-(2-hydroxypropyl)-N,3-dimethylbenzenesulfonamide
CID 62335007
5-amino-2-ethyl-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 62333305

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide (CID 62333869) is 2-amino-N-(2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)CC(C)O)c(N)c1.
What is the InChIKey of 2-amino-N-(2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide?
The InChIKey is PNSGRYJQFGSRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-8-4-5-11(10(12)6-8)17(15,16)13(3)7-9(2)14/h4-6,9,14H,7,12H2,1-3H3.
What are the key properties of 2-amino-N-(2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide?
2-amino-N-(2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide has a molecular weight of 258.34 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 62333869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).