2-chloro-4-(ethylsulfamoylamino)phenol

C8H11ClN2O3S — CID 114809196

IUPAC2-chloro-4-(ethylsulfamoylamino)phenol
SMILESCCNS(=O)(=O)Nc1ccc(O)c(Cl)c1
InChIInChI=1S/C8H11ClN2O3S/c1-2-10-15(13,14)11-6-3-4-8(12)7(9)5-6/h3-5,10-12H,2H2,1H3
InChIKeyWTQWCBYBBSEGPK-UHFFFAOYSA-N
MW250.71 g/mol
LogP1.31
Rot. Bonds4

About 2-chloro-4-(ethylsulfamoylamino)phenol

2-chloro-4-(ethylsulfamoylamino)phenol (PubChem CID 114809196) has the molecular formula C8H11ClN2O3S and a molecular weight of 250.71 g/mol. Its IUPAC name is 2-chloro-4-(ethylsulfamoylamino)phenol.

Molecular Properties

Compound Name2-chloro-4-(ethylsulfamoylamino)phenol
PubChem CID114809196
Molecular FormulaC8H11ClN2O3S
Molecular Weight250.71 g/mol
Exact Mass250.02
IUPAC Name2-chloro-4-(ethylsulfamoylamino)phenol
SMILESCCNS(=O)(=O)Nc1ccc(O)c(Cl)c1
InChIInChI=1S/C8H11ClN2O3S/c1-2-10-15(13,14)11-6-3-4-8(12)7(9)5-6/h3-5,10-12H,2H2,1H3
InChIKeyWTQWCBYBBSEGPK-UHFFFAOYSA-N
XLogP1.31
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.71
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-(ethylsulfamoylamino)benzoic acid
CID 114805820
4-(ethylsulfamoylamino)phenol
CID 114809076
N-(3-chloro-4-hydroxyphenyl)-2-ethoxyethanesulfonamide
CID 64787721
2-chloro-5-(methylsulfamoylamino)phenol
CID 114809188
3-(ethylsulfamoylamino)benzenesulfonamide
CID 114812411
N-(3-chloro-4-hydroxyphenyl)-1-ethylimidazole-4-sulfonamide
CID 79373206
5,6-dichloro-N-(3-chloro-4-hydroxyphenyl)pyridine-3-sulfonamide
CID 103930794
3,5-dichloro-4-(ethylsulfamoylamino)benzenesulfonamide
CID 114812536
2,6-dichloro-4-(2-methylpropylsulfamoylamino)phenol
CID 114815573
ethyl N-(3-chloro-4-hydroxyphenyl)carbamate
CID 64787909
N-(3-chloro-4-hydroxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 64786558
N-(3-chloro-4-hydroxyphenyl)-4-nitrobenzenesulfonamide
CID 3397659

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(ethylsulfamoylamino)phenol?
The IUPAC name of 2-chloro-4-(ethylsulfamoylamino)phenol (CID 114809196) is 2-chloro-4-(ethylsulfamoylamino)phenol.
What is the SMILES notation for 2-chloro-4-(ethylsulfamoylamino)phenol?
The canonical SMILES for 2-chloro-4-(ethylsulfamoylamino)phenol is CCNS(=O)(=O)Nc1ccc(O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(ethylsulfamoylamino)phenol?
The InChIKey is WTQWCBYBBSEGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O3S/c1-2-10-15(13,14)11-6-3-4-8(12)7(9)5-6/h3-5,10-12H,2H2,1H3.
What are the key properties of 2-chloro-4-(ethylsulfamoylamino)phenol?
2-chloro-4-(ethylsulfamoylamino)phenol has a molecular weight of 250.71 g/mol, XLogP of 1.31, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(ethylsulfamoylamino)phenol is sourced from PubChem (CID 114809196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).