3-amino-5-chloro-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide

C9H13ClN2O3S — CID 43345878

IUPAC3-amino-5-chloro-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)NCCO)cc1Cl
InChIInChI=1S/C9H13ClN2O3S/c1-6-8(10)4-7(5-9(6)11)16(14,15)12-2-3-13/h4-5,12-13H,2-3,11H2,1H3
InChIKeyYHTXOOWADYUVGU-UHFFFAOYSA-N
MW264.73 g/mol
LogP0.50
Rot. Bonds4

About 3-amino-5-chloro-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide

3-amino-5-chloro-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide (PubChem CID 43345878) has the molecular formula C9H13ClN2O3S and a molecular weight of 264.73 g/mol. Its IUPAC name is 3-amino-5-chloro-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
PubChem CID43345878
Molecular FormulaC9H13ClN2O3S
Molecular Weight264.73 g/mol
Exact Mass264.03
IUPAC Name3-amino-5-chloro-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)NCCO)cc1Cl
InChIInChI=1S/C9H13ClN2O3S/c1-6-8(10)4-7(5-9(6)11)16(14,15)12-2-3-13/h4-5,12-13H,2-3,11H2,1H3
InChIKeyYHTXOOWADYUVGU-UHFFFAOYSA-N
XLogP0.50
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-chloro-N-[3-(methanesulfonamido)propyl]-4-methylbenzenesulfonamide
CID 106333250
3-amino-5-chloro-4-methyl-N-pentylbenzenesulfonamide
CID 29030378
2-[(3-amino-5-chloro-4-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 43567655
3-amino-5-chloro-N-(1,3-dihydroxypropan-2-yl)-4-methylbenzenesulfonamide
CID 65310566
3-amino-5-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylbenzenesulfonamide
CID 107843755
3-amino-5-chloro-4-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 61107120
3-amino-5-chloro-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzenesulfonamide
CID 63824801
3-amino-5-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 62977381
3-amino-N-(2-but-3-enoxyethyl)-5-chloro-4-methylbenzenesulfonamide
CID 106392768
3-amino-5-chloro-4-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106413778
3-amino-5-chloro-N-[(2-chlorophenyl)methyl]-4-methylbenzenesulfonamide
CID 29297863
3-amino-5-chloro-4-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 62057704

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide (CID 43345878) is 3-amino-5-chloro-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide is Cc1c(N)cc(S(=O)(=O)NCCO)cc1Cl.
What is the InChIKey of 3-amino-5-chloro-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide?
The InChIKey is YHTXOOWADYUVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O3S/c1-6-8(10)4-7(5-9(6)11)16(14,15)12-2-3-13/h4-5,12-13H,2-3,11H2,1H3.
What are the key properties of 3-amino-5-chloro-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide?
3-amino-5-chloro-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide has a molecular weight of 264.73 g/mol, XLogP of 0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 43345878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).