4-morpholin-4-ylsulfonyl-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide

C24H27N3O4S — CID 4087141

IUPAC4-morpholin-4-ylsulfonyl-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide
SMILESO=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C24H27N3O4S/c28-24(18-6-8-19(9-7-18)32(29,30)27-11-13-31-14-12-27)25-16-17-5-10-23-21(15-17)20-3-1-2-4-22(20)26-23/h5-10,15,26H,1-4,11-14,16H2,(H,25,28)
InChIKeyCYKWVBNSNLWXNB-UHFFFAOYSA-N
MW453.56 g/mol
LogP3.00
Rot. Bonds5

About 4-morpholin-4-ylsulfonyl-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide

4-morpholin-4-ylsulfonyl-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide (PubChem CID 4087141) has the molecular formula C24H27N3O4S and a molecular weight of 453.56 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonyl-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonyl-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide
PubChem CID4087141
Molecular FormulaC24H27N3O4S
Molecular Weight453.56 g/mol
Exact Mass453.17
IUPAC Name4-morpholin-4-ylsulfonyl-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide
SMILESO=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C24H27N3O4S/c28-24(18-6-8-19(9-7-18)32(29,30)27-11-13-31-14-12-27)25-16-17-5-10-23-21(15-17)20-3-1-2-4-22(20)26-23/h5-10,15,26H,1-4,11-14,16H2,(H,25,28)
InChIKeyCYKWVBNSNLWXNB-UHFFFAOYSA-N
XLogP3.00
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonyl-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide?
The IUPAC name of 4-morpholin-4-ylsulfonyl-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide (CID 4087141) is 4-morpholin-4-ylsulfonyl-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide.
What is the SMILES notation for 4-morpholin-4-ylsulfonyl-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide?
The canonical SMILES for 4-morpholin-4-ylsulfonyl-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide is O=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-morpholin-4-ylsulfonyl-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide?
The InChIKey is CYKWVBNSNLWXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S/c28-24(18-6-8-19(9-7-18)32(29,30)27-11-13-31-14-12-27)25-16-17-5-10-23-21(15-17)20-3-1-2-4-22(20)26-23/h5-10,15,26H,1-4,11-14,16H2,(H,25,28).
What are the key properties of 4-morpholin-4-ylsulfonyl-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide?
4-morpholin-4-ylsulfonyl-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide has a molecular weight of 453.56 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylsulfonyl-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide is sourced from PubChem (CID 4087141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).