2-chloro-6-(2-methoxyethylsulfamoylamino)phenol

C9H13ClN2O4S — CID 114815567

IUPAC2-chloro-6-(2-methoxyethylsulfamoylamino)phenol
SMILESCOCCNS(=O)(=O)Nc1cccc(Cl)c1O
InChIInChI=1S/C9H13ClN2O4S/c1-16-6-5-11-17(14,15)12-8-4-2-3-7(10)9(8)13/h2-4,11-13H,5-6H2,1H3
InChIKeyHAOATWSKVSIVLQ-UHFFFAOYSA-N
MW280.73 g/mol
LogP0.94
Rot. Bonds6

About 2-chloro-6-(2-methoxyethylsulfamoylamino)phenol

2-chloro-6-(2-methoxyethylsulfamoylamino)phenol (PubChem CID 114815567) has the molecular formula C9H13ClN2O4S and a molecular weight of 280.73 g/mol. Its IUPAC name is 2-chloro-6-(2-methoxyethylsulfamoylamino)phenol.

Molecular Properties

Compound Name2-chloro-6-(2-methoxyethylsulfamoylamino)phenol
PubChem CID114815567
Molecular FormulaC9H13ClN2O4S
Molecular Weight280.73 g/mol
Exact Mass280.03
IUPAC Name2-chloro-6-(2-methoxyethylsulfamoylamino)phenol
SMILESCOCCNS(=O)(=O)Nc1cccc(Cl)c1O
InChIInChI=1S/C9H13ClN2O4S/c1-16-6-5-11-17(14,15)12-8-4-2-3-7(10)9(8)13/h2-4,11-13H,5-6H2,1H3
InChIKeyHAOATWSKVSIVLQ-UHFFFAOYSA-N
XLogP0.94
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyethylsulfamoylamino)-2-methylbenzenesulfonamide
CID 114816608
4-chloro-3-(2-methoxyethylsulfamoylamino)benzoic acid
CID 114814349
3-[5-chloro-2-(2-methoxyethylsulfamoylamino)phenyl]prop-2-yn-1-ol
CID 114816474
2-(2-methoxyethylsulfamoylamino)benzenecarbothioamide
CID 114815185
N-(2-methoxyethylsulfamoyl)-2-(methylaminomethyl)aniline
CID 114815993
2-fluoro-N'-hydroxy-6-(2-methoxyethylsulfamoylamino)benzenecarboximidamide
CID 114816573
N-(3-chloro-2-hydroxyphenyl)-2-methylpropane-2-sulfonamide
CID 81433625
N-(3-chloro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide
CID 78995720
2-(2-methoxyethylsulfamoylamino)pyridin-3-ol
CID 114815576
4-chloro-2-(2-methoxyethylsulfamoylamino)benzenecarbothioamide
CID 114815307
4-chloro-N'-hydroxy-2-(2-methoxyethylsulfamoylamino)benzenecarboximidamide
CID 114816595
3-[(2-methoxyethylsulfamoylamino)methyl]phenol
CID 114815535

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-methoxyethylsulfamoylamino)phenol?
The IUPAC name of 2-chloro-6-(2-methoxyethylsulfamoylamino)phenol (CID 114815567) is 2-chloro-6-(2-methoxyethylsulfamoylamino)phenol.
What is the SMILES notation for 2-chloro-6-(2-methoxyethylsulfamoylamino)phenol?
The canonical SMILES for 2-chloro-6-(2-methoxyethylsulfamoylamino)phenol is COCCNS(=O)(=O)Nc1cccc(Cl)c1O.
What is the InChIKey of 2-chloro-6-(2-methoxyethylsulfamoylamino)phenol?
The InChIKey is HAOATWSKVSIVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O4S/c1-16-6-5-11-17(14,15)12-8-4-2-3-7(10)9(8)13/h2-4,11-13H,5-6H2,1H3.
What are the key properties of 2-chloro-6-(2-methoxyethylsulfamoylamino)phenol?
2-chloro-6-(2-methoxyethylsulfamoylamino)phenol has a molecular weight of 280.73 g/mol, XLogP of 0.94, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-methoxyethylsulfamoylamino)phenol is sourced from PubChem (CID 114815567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).