3-amino-4-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide

C9H13ClN2O3S — CID 43345894

IUPAC3-amino-4-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
SMILESCN(CCO)S(=O)(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C9H13ClN2O3S/c1-12(4-5-13)16(14,15)7-2-3-8(10)9(11)6-7/h2-3,6,13H,4-5,11H2,1H3
InChIKeyYQCYYFYEWSOXKB-UHFFFAOYSA-N
MW264.73 g/mol
LogP0.54
Rot. Bonds4

About 3-amino-4-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide

3-amino-4-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide (PubChem CID 43345894) has the molecular formula C9H13ClN2O3S and a molecular weight of 264.73 g/mol. Its IUPAC name is 3-amino-4-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
PubChem CID43345894
Molecular FormulaC9H13ClN2O3S
Molecular Weight264.73 g/mol
Exact Mass264.03
IUPAC Name3-amino-4-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
SMILESCN(CCO)S(=O)(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C9H13ClN2O3S/c1-12(4-5-13)16(14,15)7-2-3-8(10)9(11)6-7/h2-3,6,13H,4-5,11H2,1H3
InChIKeyYQCYYFYEWSOXKB-UHFFFAOYSA-N
XLogP0.54
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 50.54
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

4-chloro-N-(2-hydroxyethyl)-N,3-dimethylbenzenesulfonamide
CID 39363651
3-amino-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 62058073
2-[(3-amino-4-chlorophenyl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 43374844
2-[(3-amino-4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 43374804
3-amino-4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide
CID 105413736
3-[(3-amino-4-chlorophenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide
CID 106914097
3-amino-N-(5-hydroxypentyl)-N,4-dimethylbenzenesulfonamide
CID 107197609
3-amino-4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide
CID 61138875
3-amino-4-chloro-N-cyclopropyl-N-methylbenzenesulfonamide
CID 43264640
4-chloro-3-[2-hydroxyethyl(methyl)sulfamoyl]benzoate
CID 7470552
3-amino-4-chloro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 43564918
3-amino-4-chloro-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 43569761

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 3-amino-4-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide (CID 43345894) is 3-amino-4-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide is CN(CCO)S(=O)(=O)c1ccc(Cl)c(N)c1.
What is the InChIKey of 3-amino-4-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide?
The InChIKey is YQCYYFYEWSOXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O3S/c1-12(4-5-13)16(14,15)7-2-3-8(10)9(11)6-7/h2-3,6,13H,4-5,11H2,1H3.
What are the key properties of 3-amino-4-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide?
3-amino-4-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide has a molecular weight of 264.73 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 43345894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).