4-(dimethylamino)-3-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]benzenesulfonamide

C14H18N4O5S — CID 168559995

IUPAC4-(dimethylamino)-3-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]benzenesulfonamide
SMILESCN(C)c1ccc(S(N)(=O)=O)cc1NC1=CC(=O)N(CCO)C1=O
InChIInChI=1S/C14H18N4O5S/c1-17(2)12-4-3-9(24(15,22)23)7-10(12)16-11-8-13(20)18(5-6-19)14(11)21/h3-4,7-8,16,19H,5-6H2,1-2H3,(H2,15,22,23)
InChIKeyFBDVSFDGMCNDKY-UHFFFAOYSA-N
MW354.39 g/mol
LogP-0.94
Rot. Bonds6

About 4-(dimethylamino)-3-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]benzenesulfonamide

4-(dimethylamino)-3-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]benzenesulfonamide (PubChem CID 168559995) has the molecular formula C14H18N4O5S and a molecular weight of 354.39 g/mol. Its IUPAC name is 4-(dimethylamino)-3-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-(dimethylamino)-3-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]benzenesulfonamide
PubChem CID168559995
Molecular FormulaC14H18N4O5S
Molecular Weight354.39 g/mol
Exact Mass354.10
IUPAC Name4-(dimethylamino)-3-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]benzenesulfonamide
SMILESCN(C)c1ccc(S(N)(=O)=O)cc1NC1=CC(=O)N(CCO)C1=O
InChIInChI=1S/C14H18N4O5S/c1-17(2)12-4-3-9(24(15,22)23)7-10(12)16-11-8-13(20)18(5-6-19)14(11)21/h3-4,7-8,16,19H,5-6H2,1-2H3,(H2,15,22,23)
InChIKeyFBDVSFDGMCNDKY-UHFFFAOYSA-N
XLogP-0.94
TPSA133.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-3-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]benzenesulfonamide?
The IUPAC name of 4-(dimethylamino)-3-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]benzenesulfonamide (CID 168559995) is 4-(dimethylamino)-3-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-(dimethylamino)-3-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-(dimethylamino)-3-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]benzenesulfonamide is CN(C)c1ccc(S(N)(=O)=O)cc1NC1=CC(=O)N(CCO)C1=O.
What is the InChIKey of 4-(dimethylamino)-3-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]benzenesulfonamide?
The InChIKey is FBDVSFDGMCNDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O5S/c1-17(2)12-4-3-9(24(15,22)23)7-10(12)16-11-8-13(20)18(5-6-19)14(11)21/h3-4,7-8,16,19H,5-6H2,1-2H3,(H2,15,22,23).
What are the key properties of 4-(dimethylamino)-3-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]benzenesulfonamide?
4-(dimethylamino)-3-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]benzenesulfonamide has a molecular weight of 354.39 g/mol, XLogP of -0.94, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-3-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]benzenesulfonamide is sourced from PubChem (CID 168559995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).