9-[2-(diethylamino)ethylsulfonyl]-8-methoxy-6,6-dimethyl-3-(methylamino)-5H-benzo[b]carbazol-11-one

C26H33N3O4S — CID 134375944

IUPAC9-[2-(diethylamino)ethylsulfonyl]-8-methoxy-6,6-dimethyl-3-(methylamino)-5H-benzo[b]carbazol-11-one
SMILESCCN(CC)CCS(=O)(=O)c1cc2c(cc1OC)C(C)(C)c1[nH]c3cc(NC)ccc3c1C2=O
InChIInChI=1S/C26H33N3O4S/c1-7-29(8-2)11-12-34(31,32)22-14-18-19(15-21(22)33-6)26(3,4)25-23(24(18)30)17-10-9-16(27-5)13-20(17)28-25/h9-10,13-15,27-28H,7-8,11-12H2,1-6H3
InChIKeyVJLHRSCMJYWUEM-UHFFFAOYSA-N
MW483.63 g/mol
LogP4.20
Rot. Bonds8

About 9-[2-(diethylamino)ethylsulfonyl]-8-methoxy-6,6-dimethyl-3-(methylamino)-5H-benzo[b]carbazol-11-one

9-[2-(diethylamino)ethylsulfonyl]-8-methoxy-6,6-dimethyl-3-(methylamino)-5H-benzo[b]carbazol-11-one (PubChem CID 134375944) has the molecular formula C26H33N3O4S and a molecular weight of 483.63 g/mol. Its IUPAC name is 9-[2-(diethylamino)ethylsulfonyl]-8-methoxy-6,6-dimethyl-3-(methylamino)-5H-benzo[b]carbazol-11-one.

Molecular Properties

Compound Name9-[2-(diethylamino)ethylsulfonyl]-8-methoxy-6,6-dimethyl-3-(methylamino)-5H-benzo[b]carbazol-11-one
PubChem CID134375944
Molecular FormulaC26H33N3O4S
Molecular Weight483.63 g/mol
Exact Mass483.22
IUPAC Name9-[2-(diethylamino)ethylsulfonyl]-8-methoxy-6,6-dimethyl-3-(methylamino)-5H-benzo[b]carbazol-11-one
SMILESCCN(CC)CCS(=O)(=O)c1cc2c(cc1OC)C(C)(C)c1[nH]c3cc(NC)ccc3c1C2=O
InChIInChI=1S/C26H33N3O4S/c1-7-29(8-2)11-12-34(31,32)22-14-18-19(15-21(22)33-6)26(3,4)25-23(24(18)30)17-10-9-16(27-5)13-20(17)28-25/h9-10,13-15,27-28H,7-8,11-12H2,1-6H3
InChIKeyVJLHRSCMJYWUEM-UHFFFAOYSA-N
XLogP4.20
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.63
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(diethylamino)ethylsulfonyl]-8-methoxy-6,6-dimethyl-3-(methylamino)-5H-benzo[b]carbazol-11-one?
The IUPAC name of 9-[2-(diethylamino)ethylsulfonyl]-8-methoxy-6,6-dimethyl-3-(methylamino)-5H-benzo[b]carbazol-11-one (CID 134375944) is 9-[2-(diethylamino)ethylsulfonyl]-8-methoxy-6,6-dimethyl-3-(methylamino)-5H-benzo[b]carbazol-11-one.
What is the SMILES notation for 9-[2-(diethylamino)ethylsulfonyl]-8-methoxy-6,6-dimethyl-3-(methylamino)-5H-benzo[b]carbazol-11-one?
The canonical SMILES for 9-[2-(diethylamino)ethylsulfonyl]-8-methoxy-6,6-dimethyl-3-(methylamino)-5H-benzo[b]carbazol-11-one is CCN(CC)CCS(=O)(=O)c1cc2c(cc1OC)C(C)(C)c1[nH]c3cc(NC)ccc3c1C2=O.
What is the InChIKey of 9-[2-(diethylamino)ethylsulfonyl]-8-methoxy-6,6-dimethyl-3-(methylamino)-5H-benzo[b]carbazol-11-one?
The InChIKey is VJLHRSCMJYWUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4S/c1-7-29(8-2)11-12-34(31,32)22-14-18-19(15-21(22)33-6)26(3,4)25-23(24(18)30)17-10-9-16(27-5)13-20(17)28-25/h9-10,13-15,27-28H,7-8,11-12H2,1-6H3.
What are the key properties of 9-[2-(diethylamino)ethylsulfonyl]-8-methoxy-6,6-dimethyl-3-(methylamino)-5H-benzo[b]carbazol-11-one?
9-[2-(diethylamino)ethylsulfonyl]-8-methoxy-6,6-dimethyl-3-(methylamino)-5H-benzo[b]carbazol-11-one has a molecular weight of 483.63 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(diethylamino)ethylsulfonyl]-8-methoxy-6,6-dimethyl-3-(methylamino)-5H-benzo[b]carbazol-11-one is sourced from PubChem (CID 134375944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).