2-amino-6-chloro-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide

C13H21ClN2O3S — CID 106284162

IUPAC2-amino-6-chloro-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide
SMILESCCC(CC)C(O)CNS(=O)(=O)c1c(N)cccc1Cl
InChIInChI=1S/C13H21ClN2O3S/c1-3-9(4-2)12(17)8-16-20(18,19)13-10(14)6-5-7-11(13)15/h5-7,9,12,16-17H,3-4,8,15H2,1-2H3
InChIKeyHEKLJQRHCYFGSD-UHFFFAOYSA-N
MW320.84 g/mol
LogP2.00
Rot. Bonds7

About 2-amino-6-chloro-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide

2-amino-6-chloro-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide (PubChem CID 106284162) has the molecular formula C13H21ClN2O3S and a molecular weight of 320.84 g/mol. Its IUPAC name is 2-amino-6-chloro-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide
PubChem CID106284162
Molecular FormulaC13H21ClN2O3S
Molecular Weight320.84 g/mol
Exact Mass320.10
IUPAC Name2-amino-6-chloro-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide
SMILESCCC(CC)C(O)CNS(=O)(=O)c1c(N)cccc1Cl
InChIInChI=1S/C13H21ClN2O3S/c1-3-9(4-2)12(17)8-16-20(18,19)13-10(14)6-5-7-11(13)15/h5-7,9,12,16-17H,3-4,8,15H2,1-2H3
InChIKeyHEKLJQRHCYFGSD-UHFFFAOYSA-N
XLogP2.00
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.84
LogP ≤ 52.00
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

2,6-dichloro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide
CID 115754918
4-bromo-2,6-dichloro-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide
CID 106288270
4-amino-N-(3-ethyl-2-hydroxypentyl)-2,6-dimethylbenzenesulfonamide
CID 106284209
2-amino-6-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 107213648
2-amino-6-chloro-N-octylbenzenesulfonamide
CID 115565998
2-amino-6-chloro-N-(2,2-dimethylbutyl)benzenesulfonamide
CID 103460070
2-amino-6-chloro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106333183
N-(3-ethyl-2-hydroxypentyl)-2,4,6-trimethylbenzenesulfonamide
CID 103835154
2-chloro-N-(3-ethyl-2-hydroxypentyl)-5-fluorobenzenesulfonamide
CID 103835211
5-amino-N-(3-ethyl-2-hydroxypentyl)-2,4-difluorobenzenesulfonamide
CID 106284143
6-amino-N-(3-ethyl-2-hydroxypentyl)pyridine-3-sulfonamide
CID 106284185
3-amino-N-(3-ethyl-2-hydroxypentyl)-2,5-dimethylbenzenesulfonamide
CID 106284208

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide?
The IUPAC name of 2-amino-6-chloro-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide (CID 106284162) is 2-amino-6-chloro-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-6-chloro-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide?
The canonical SMILES for 2-amino-6-chloro-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide is CCC(CC)C(O)CNS(=O)(=O)c1c(N)cccc1Cl.
What is the InChIKey of 2-amino-6-chloro-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide?
The InChIKey is HEKLJQRHCYFGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O3S/c1-3-9(4-2)12(17)8-16-20(18,19)13-10(14)6-5-7-11(13)15/h5-7,9,12,16-17H,3-4,8,15H2,1-2H3.
What are the key properties of 2-amino-6-chloro-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide?
2-amino-6-chloro-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide has a molecular weight of 320.84 g/mol, XLogP of 2.00, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide is sourced from PubChem (CID 106284162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).