4-methoxy-3-[[(3-morpholin-4-ylsulfonylbenzoyl)amino]carbamoyl]benzenesulfonamide

C19H22N4O8S2 — CID 4850744

IUPAC4-methoxy-3-[[(3-morpholin-4-ylsulfonylbenzoyl)amino]carbamoyl]benzenesulfonamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H22N4O8S2/c1-30-17-6-5-14(32(20,26)27)12-16(17)19(25)22-21-18(24)13-3-2-4-15(11-13)33(28,29)23-7-9-31-10-8-23/h2-6,11-12H,7-10H2,1H3,(H,21,24)(H,22,25)(H2,20,26,27)
InChIKeyQZADPJIIQZRSON-UHFFFAOYSA-N
MW498.54 g/mol
LogP-0.56
Rot. Bonds6

About 4-methoxy-3-[[(3-morpholin-4-ylsulfonylbenzoyl)amino]carbamoyl]benzenesulfonamide

4-methoxy-3-[[(3-morpholin-4-ylsulfonylbenzoyl)amino]carbamoyl]benzenesulfonamide (PubChem CID 4850744) has the molecular formula C19H22N4O8S2 and a molecular weight of 498.54 g/mol. Its IUPAC name is 4-methoxy-3-[[(3-morpholin-4-ylsulfonylbenzoyl)amino]carbamoyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-[[(3-morpholin-4-ylsulfonylbenzoyl)amino]carbamoyl]benzenesulfonamide
PubChem CID4850744
Molecular FormulaC19H22N4O8S2
Molecular Weight498.54 g/mol
Exact Mass498.09
IUPAC Name4-methoxy-3-[[(3-morpholin-4-ylsulfonylbenzoyl)amino]carbamoyl]benzenesulfonamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H22N4O8S2/c1-30-17-6-5-14(32(20,26)27)12-16(17)19(25)22-21-18(24)13-3-2-4-15(11-13)33(28,29)23-7-9-31-10-8-23/h2-6,11-12H,7-10H2,1H3,(H,21,24)(H,22,25)(H2,20,26,27)
InChIKeyQZADPJIIQZRSON-UHFFFAOYSA-N
XLogP-0.56
TPSA174.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.54
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[[(3-morpholin-4-ylsulfonylbenzoyl)amino]carbamoyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-3-[[(3-morpholin-4-ylsulfonylbenzoyl)amino]carbamoyl]benzenesulfonamide (CID 4850744) is 4-methoxy-3-[[(3-morpholin-4-ylsulfonylbenzoyl)amino]carbamoyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-[[(3-morpholin-4-ylsulfonylbenzoyl)amino]carbamoyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-[[(3-morpholin-4-ylsulfonylbenzoyl)amino]carbamoyl]benzenesulfonamide is COc1ccc(S(N)(=O)=O)cc1C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 4-methoxy-3-[[(3-morpholin-4-ylsulfonylbenzoyl)amino]carbamoyl]benzenesulfonamide?
The InChIKey is QZADPJIIQZRSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O8S2/c1-30-17-6-5-14(32(20,26)27)12-16(17)19(25)22-21-18(24)13-3-2-4-15(11-13)33(28,29)23-7-9-31-10-8-23/h2-6,11-12H,7-10H2,1H3,(H,21,24)(H,22,25)(H2,20,26,27).
What are the key properties of 4-methoxy-3-[[(3-morpholin-4-ylsulfonylbenzoyl)amino]carbamoyl]benzenesulfonamide?
4-methoxy-3-[[(3-morpholin-4-ylsulfonylbenzoyl)amino]carbamoyl]benzenesulfonamide has a molecular weight of 498.54 g/mol, XLogP of -0.56, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[[(3-morpholin-4-ylsulfonylbenzoyl)amino]carbamoyl]benzenesulfonamide is sourced from PubChem (CID 4850744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).