N-(2-aminophenyl)-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide

C14H15ClN2O3S — CID 43550518

IUPACN-(2-aminophenyl)-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide
SMILESNc1ccccc1N(CCO)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C14H15ClN2O3S/c15-11-5-1-4-8-14(11)21(19,20)17(9-10-18)13-7-3-2-6-12(13)16/h1-8,18H,9-10,16H2
InChIKeyTVSWHTRAVPLWKP-UHFFFAOYSA-N
MW326.80 g/mol
LogP2.11
Rot. Bonds5

About N-(2-aminophenyl)-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide

N-(2-aminophenyl)-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 43550518) has the molecular formula C14H15ClN2O3S and a molecular weight of 326.80 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID43550518
Molecular FormulaC14H15ClN2O3S
Molecular Weight326.80 g/mol
Exact Mass326.05
IUPAC NameN-(2-aminophenyl)-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide
SMILESNc1ccccc1N(CCO)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C14H15ClN2O3S/c15-11-5-1-4-8-14(11)21(19,20)17(9-10-18)13-7-3-2-6-12(13)16/h1-8,18H,9-10,16H2
InChIKeyTVSWHTRAVPLWKP-UHFFFAOYSA-N
XLogP2.11
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.80
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of N-(2-aminophenyl)-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide (CID 43550518) is N-(2-aminophenyl)-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-aminophenyl)-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for N-(2-aminophenyl)-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide is Nc1ccccc1N(CCO)S(=O)(=O)c1ccccc1Cl.
What is the InChIKey of N-(2-aminophenyl)-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is TVSWHTRAVPLWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S/c15-11-5-1-4-8-14(11)21(19,20)17(9-10-18)13-7-3-2-6-12(13)16/h1-8,18H,9-10,16H2.
What are the key properties of N-(2-aminophenyl)-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide?
N-(2-aminophenyl)-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 326.80 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 43550518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).