N-(9-ethylcarbazol-3-yl)-4-methoxybenzenesulfonamide

C21H20N2O3S — CID 1048274

IUPACN-(9-ethylcarbazol-3-yl)-4-methoxybenzenesulfonamide
SMILESCCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(OC)cc3)ccc21
InChIInChI=1S/C21H20N2O3S/c1-3-23-20-7-5-4-6-18(20)19-14-15(8-13-21(19)23)22-27(24,25)17-11-9-16(26-2)10-12-17/h4-14,22H,3H2,1-2H3
InChIKeyYLNMORFKQGQRGP-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.62
Rot. Bonds5

About N-(9-ethylcarbazol-3-yl)-4-methoxybenzenesulfonamide

N-(9-ethylcarbazol-3-yl)-4-methoxybenzenesulfonamide (PubChem CID 1048274) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-(9-ethylcarbazol-3-yl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(9-ethylcarbazol-3-yl)-4-methoxybenzenesulfonamide
PubChem CID1048274
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC NameN-(9-ethylcarbazol-3-yl)-4-methoxybenzenesulfonamide
SMILESCCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(OC)cc3)ccc21
InChIInChI=1S/C21H20N2O3S/c1-3-23-20-7-5-4-6-18(20)19-14-15(8-13-21(19)23)22-27(24,25)17-11-9-16(26-2)10-12-17/h4-14,22H,3H2,1-2H3
InChIKeyYLNMORFKQGQRGP-UHFFFAOYSA-N
XLogP4.62
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(9-ethylcarbazol-3-yl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(9-ethylcarbazol-3-yl)-4-methoxybenzenesulfonamide (CID 1048274) is N-(9-ethylcarbazol-3-yl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(9-ethylcarbazol-3-yl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(9-ethylcarbazol-3-yl)-4-methoxybenzenesulfonamide is CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(OC)cc3)ccc21.
What is the InChIKey of N-(9-ethylcarbazol-3-yl)-4-methoxybenzenesulfonamide?
The InChIKey is YLNMORFKQGQRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-3-23-20-7-5-4-6-18(20)19-14-15(8-13-21(19)23)22-27(24,25)17-11-9-16(26-2)10-12-17/h4-14,22H,3H2,1-2H3.
What are the key properties of N-(9-ethylcarbazol-3-yl)-4-methoxybenzenesulfonamide?
N-(9-ethylcarbazol-3-yl)-4-methoxybenzenesulfonamide has a molecular weight of 380.47 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-ethylcarbazol-3-yl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 1048274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).