1-[4-(4-aminophenyl)sulfonylanilino]-3-(2-hydroxypropoxy)propan-2-ol

C18H24N2O5S — CID 171439817

IUPAC1-[4-(4-aminophenyl)sulfonylanilino]-3-(2-hydroxypropoxy)propan-2-ol
SMILESCC(O)COCC(O)CNc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C18H24N2O5S/c1-13(21)11-25-12-16(22)10-20-15-4-8-18(9-5-15)26(23,24)17-6-2-14(19)3-7-17/h2-9,13,16,20-22H,10-12,19H2,1H3
InChIKeyNEUDBZBSCGNSSG-UHFFFAOYSA-N
MW380.47 g/mol
LogP1.27
Rot. Bonds9

About 1-[4-(4-aminophenyl)sulfonylanilino]-3-(2-hydroxypropoxy)propan-2-ol

1-[4-(4-aminophenyl)sulfonylanilino]-3-(2-hydroxypropoxy)propan-2-ol (PubChem CID 171439817) has the molecular formula C18H24N2O5S and a molecular weight of 380.47 g/mol. Its IUPAC name is 1-[4-(4-aminophenyl)sulfonylanilino]-3-(2-hydroxypropoxy)propan-2-ol.

Molecular Properties

Compound Name1-[4-(4-aminophenyl)sulfonylanilino]-3-(2-hydroxypropoxy)propan-2-ol
PubChem CID171439817
Molecular FormulaC18H24N2O5S
Molecular Weight380.47 g/mol
Exact Mass380.14
IUPAC Name1-[4-(4-aminophenyl)sulfonylanilino]-3-(2-hydroxypropoxy)propan-2-ol
SMILESCC(O)COCC(O)CNc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C18H24N2O5S/c1-13(21)11-25-12-16(22)10-20-15-4-8-18(9-5-15)26(23,24)17-6-2-14(19)3-7-17/h2-9,13,16,20-22H,10-12,19H2,1H3
InChIKeyNEUDBZBSCGNSSG-UHFFFAOYSA-N
XLogP1.27
TPSA121.88 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 51.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-aminophenyl)sulfonylanilino]-3-(2-hydroxypropoxy)propan-2-ol?
The IUPAC name of 1-[4-(4-aminophenyl)sulfonylanilino]-3-(2-hydroxypropoxy)propan-2-ol (CID 171439817) is 1-[4-(4-aminophenyl)sulfonylanilino]-3-(2-hydroxypropoxy)propan-2-ol.
What is the SMILES notation for 1-[4-(4-aminophenyl)sulfonylanilino]-3-(2-hydroxypropoxy)propan-2-ol?
The canonical SMILES for 1-[4-(4-aminophenyl)sulfonylanilino]-3-(2-hydroxypropoxy)propan-2-ol is CC(O)COCC(O)CNc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1.
What is the InChIKey of 1-[4-(4-aminophenyl)sulfonylanilino]-3-(2-hydroxypropoxy)propan-2-ol?
The InChIKey is NEUDBZBSCGNSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5S/c1-13(21)11-25-12-16(22)10-20-15-4-8-18(9-5-15)26(23,24)17-6-2-14(19)3-7-17/h2-9,13,16,20-22H,10-12,19H2,1H3.
What are the key properties of 1-[4-(4-aminophenyl)sulfonylanilino]-3-(2-hydroxypropoxy)propan-2-ol?
1-[4-(4-aminophenyl)sulfonylanilino]-3-(2-hydroxypropoxy)propan-2-ol has a molecular weight of 380.47 g/mol, XLogP of 1.27, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-aminophenyl)sulfonylanilino]-3-(2-hydroxypropoxy)propan-2-ol is sourced from PubChem (CID 171439817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).