2-amino-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide

C8H11ClN2O3S — CID 43345872

IUPAC2-amino-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide
SMILESNc1cc(Cl)ccc1S(=O)(=O)NCCO
InChIInChI=1S/C8H11ClN2O3S/c9-6-1-2-8(7(10)5-6)15(13,14)11-3-4-12/h1-2,5,11-12H,3-4,10H2
InChIKeySQSIPJOKWHQSAA-UHFFFAOYSA-N
MW250.71 g/mol
LogP0.19
Rot. Bonds4

About 2-amino-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide

2-amino-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 43345872) has the molecular formula C8H11ClN2O3S and a molecular weight of 250.71 g/mol. Its IUPAC name is 2-amino-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID43345872
Molecular FormulaC8H11ClN2O3S
Molecular Weight250.71 g/mol
Exact Mass250.02
IUPAC Name2-amino-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide
SMILESNc1cc(Cl)ccc1S(=O)(=O)NCCO
InChIInChI=1S/C8H11ClN2O3S/c9-6-1-2-8(7(10)5-6)15(13,14)11-3-4-12/h1-2,5,11-12H,3-4,10H2
InChIKeySQSIPJOKWHQSAA-UHFFFAOYSA-N
XLogP0.19
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.71
LogP ≤ 50.19
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

2-amino-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 43258900
2-amino-4-chloro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106333180
2-amino-4-chloro-N-(4-hydroxy-2,2-dimethylbutyl)benzenesulfonamide
CID 106139679
4-chloro-N-(2-hydroxyethyl)-2-methoxybenzenesulfonamide
CID 43501996
2-amino-4-chloro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
CID 107213300
ethyl 2-[(2-amino-4-chlorophenyl)sulfonylamino]acetate
CID 60812241
2-amino-4-chloro-N-(2,2-difluoroethyl)benzenesulfonamide
CID 115405321
2-amino-4-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide
CID 115357865
2-amino-4-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 106242744
2-amino-4-chloro-N-(2,3-dimethylbutyl)benzenesulfonamide
CID 64569599
2-amino-4-chloro-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide
CID 107150822
2-amino-4-chloro-N-(1-hydroxypentan-3-yl)benzenesulfonamide
CID 113495486

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 2-amino-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide (CID 43345872) is 2-amino-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide is Nc1cc(Cl)ccc1S(=O)(=O)NCCO.
What is the InChIKey of 2-amino-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is SQSIPJOKWHQSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O3S/c9-6-1-2-8(7(10)5-6)15(13,14)11-3-4-12/h1-2,5,11-12H,3-4,10H2.
What are the key properties of 2-amino-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide?
2-amino-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 250.71 g/mol, XLogP of 0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 43345872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).