3-chloro-N-(9-ethylcarbazol-3-yl)-5-methoxybenzenesulfonamide

C21H19ClN2O3S — CID 59334960

IUPAC3-chloro-N-(9-ethylcarbazol-3-yl)-5-methoxybenzenesulfonamide
SMILESCCn1c2ccccc2c2cc(NS(=O)(=O)c3cc(Cl)cc(OC)c3)ccc21
InChIInChI=1S/C21H19ClN2O3S/c1-3-24-20-7-5-4-6-18(20)19-12-15(8-9-21(19)24)23-28(25,26)17-11-14(22)10-16(13-17)27-2/h4-13,23H,3H2,1-2H3
InChIKeyAXWACYCDOMMZGS-UHFFFAOYSA-N
MW414.91 g/mol
LogP5.28
Rot. Bonds5

About 3-chloro-N-(9-ethylcarbazol-3-yl)-5-methoxybenzenesulfonamide

3-chloro-N-(9-ethylcarbazol-3-yl)-5-methoxybenzenesulfonamide (PubChem CID 59334960) has the molecular formula C21H19ClN2O3S and a molecular weight of 414.91 g/mol. Its IUPAC name is 3-chloro-N-(9-ethylcarbazol-3-yl)-5-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(9-ethylcarbazol-3-yl)-5-methoxybenzenesulfonamide
PubChem CID59334960
Molecular FormulaC21H19ClN2O3S
Molecular Weight414.91 g/mol
Exact Mass414.08
IUPAC Name3-chloro-N-(9-ethylcarbazol-3-yl)-5-methoxybenzenesulfonamide
SMILESCCn1c2ccccc2c2cc(NS(=O)(=O)c3cc(Cl)cc(OC)c3)ccc21
InChIInChI=1S/C21H19ClN2O3S/c1-3-24-20-7-5-4-6-18(20)19-12-15(8-9-21(19)24)23-28(25,26)17-11-14(22)10-16(13-17)27-2/h4-13,23H,3H2,1-2H3
InChIKeyAXWACYCDOMMZGS-UHFFFAOYSA-N
XLogP5.28
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.91
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(9-ethylcarbazol-3-yl)-5-methoxybenzenesulfonamide?
The IUPAC name of 3-chloro-N-(9-ethylcarbazol-3-yl)-5-methoxybenzenesulfonamide (CID 59334960) is 3-chloro-N-(9-ethylcarbazol-3-yl)-5-methoxybenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(9-ethylcarbazol-3-yl)-5-methoxybenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(9-ethylcarbazol-3-yl)-5-methoxybenzenesulfonamide is CCn1c2ccccc2c2cc(NS(=O)(=O)c3cc(Cl)cc(OC)c3)ccc21.
What is the InChIKey of 3-chloro-N-(9-ethylcarbazol-3-yl)-5-methoxybenzenesulfonamide?
The InChIKey is AXWACYCDOMMZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3S/c1-3-24-20-7-5-4-6-18(20)19-12-15(8-9-21(19)24)23-28(25,26)17-11-14(22)10-16(13-17)27-2/h4-13,23H,3H2,1-2H3.
What are the key properties of 3-chloro-N-(9-ethylcarbazol-3-yl)-5-methoxybenzenesulfonamide?
3-chloro-N-(9-ethylcarbazol-3-yl)-5-methoxybenzenesulfonamide has a molecular weight of 414.91 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(9-ethylcarbazol-3-yl)-5-methoxybenzenesulfonamide is sourced from PubChem (CID 59334960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).