phenyl 3-amino-4-(ethylamino)benzenesulfonate

C14H16N2O3S — CID 23463543

IUPACphenyl 3-amino-4-(ethylamino)benzenesulfonate
SMILESCCNc1ccc(S(=O)(=O)Oc2ccccc2)cc1N
InChIInChI=1S/C14H16N2O3S/c1-2-16-14-9-8-12(10-13(14)15)20(17,18)19-11-6-4-3-5-7-11/h3-10,16H,2,15H2,1H3
InChIKeyMUWFWXHXTFRBQN-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.47
Rot. Bonds5

About phenyl 3-amino-4-(ethylamino)benzenesulfonate

phenyl 3-amino-4-(ethylamino)benzenesulfonate (PubChem CID 23463543) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is phenyl 3-amino-4-(ethylamino)benzenesulfonate.

Molecular Properties

Compound Namephenyl 3-amino-4-(ethylamino)benzenesulfonate
PubChem CID23463543
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Namephenyl 3-amino-4-(ethylamino)benzenesulfonate
SMILESCCNc1ccc(S(=O)(=O)Oc2ccccc2)cc1N
InChIInChI=1S/C14H16N2O3S/c1-2-16-14-9-8-12(10-13(14)15)20(17,18)19-11-6-4-3-5-7-11/h3-10,16H,2,15H2,1H3
InChIKeyMUWFWXHXTFRBQN-UHFFFAOYSA-N
XLogP2.47
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

1-N-ethyl-4-(trifluoromethylsulfonyl)benzene-1,2-diamine
CID 703518
diphenyl 4-methylbenzene-1,3-disulfonate
CID 163451445
(3-ethoxyphenyl) 3,4-diaminobenzenesulfonate
CID 23347991
(3,5-dichlorophenyl) 4-acetamido-3-aminobenzenesulfonate
CID 88792568
phenyl 9-methylcarbazole-3-sulfonate
CID 134956453
phenyl 4-ethoxycarbonyloxybenzenesulfonate
CID 12884268
phenyl 3-(2,2-dicyanoethenylamino)-4-methylbenzenesulfonate
CID 168544232
(4-chlorophenyl) 3,4-diaminobenzenesulfonate
CID 23347917
3-amino-4-(2-ethoxyethylamino)benzenesulfonamide
CID 43591103
(4-methoxyphenyl) 3-amino-4-chlorobenzenesulfonate
CID 54523118
4-bromo-1-N-ethylbenzene-1,2-diamine
CID 11816737
3-amino-4-(3-phenylpropylamino)benzenesulfonamide
CID 60906277

Frequently Asked Questions

What is the IUPAC name of phenyl 3-amino-4-(ethylamino)benzenesulfonate?
The IUPAC name of phenyl 3-amino-4-(ethylamino)benzenesulfonate (CID 23463543) is phenyl 3-amino-4-(ethylamino)benzenesulfonate.
What is the SMILES notation for phenyl 3-amino-4-(ethylamino)benzenesulfonate?
The canonical SMILES for phenyl 3-amino-4-(ethylamino)benzenesulfonate is CCNc1ccc(S(=O)(=O)Oc2ccccc2)cc1N.
What is the InChIKey of phenyl 3-amino-4-(ethylamino)benzenesulfonate?
The InChIKey is MUWFWXHXTFRBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-2-16-14-9-8-12(10-13(14)15)20(17,18)19-11-6-4-3-5-7-11/h3-10,16H,2,15H2,1H3.
What are the key properties of phenyl 3-amino-4-(ethylamino)benzenesulfonate?
phenyl 3-amino-4-(ethylamino)benzenesulfonate has a molecular weight of 292.36 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 3-amino-4-(ethylamino)benzenesulfonate is sourced from PubChem (CID 23463543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).