N-[(E)-(3-chlorofluoren-9-ylidene)methyl]-4-methylbenzenesulfonamide

C21H16ClNO2S — CID 122398934

IUPACN-[(E)-(3-chlorofluoren-9-ylidene)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/C=C2\c3ccccc3-c3cc(Cl)ccc32)cc1
InChIInChI=1S/C21H16ClNO2S/c1-14-6-9-16(10-7-14)26(24,25)23-13-21-18-5-3-2-4-17(18)20-12-15(22)8-11-19(20)21/h2-13,23H,1H3/b21-13+
InChIKeyOSJFRDPPMJBTLW-FYJGNVAPSA-N
MW381.88 g/mol
LogP5.00
Rot. Bonds3

About N-[(E)-(3-chlorofluoren-9-ylidene)methyl]-4-methylbenzenesulfonamide

N-[(E)-(3-chlorofluoren-9-ylidene)methyl]-4-methylbenzenesulfonamide (PubChem CID 122398934) has the molecular formula C21H16ClNO2S and a molecular weight of 381.88 g/mol. Its IUPAC name is N-[(E)-(3-chlorofluoren-9-ylidene)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(3-chlorofluoren-9-ylidene)methyl]-4-methylbenzenesulfonamide
PubChem CID122398934
Molecular FormulaC21H16ClNO2S
Molecular Weight381.88 g/mol
Exact Mass381.06
IUPAC NameN-[(E)-(3-chlorofluoren-9-ylidene)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/C=C2\c3ccccc3-c3cc(Cl)ccc32)cc1
InChIInChI=1S/C21H16ClNO2S/c1-14-6-9-16(10-7-14)26(24,25)23-13-21-18-5-3-2-4-17(18)20-12-15(22)8-11-19(20)21/h2-13,23H,1H3/b21-13+
InChIKeyOSJFRDPPMJBTLW-FYJGNVAPSA-N
XLogP5.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.88
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-chlorofluoren-9-ylidene)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(E)-(3-chlorofluoren-9-ylidene)methyl]-4-methylbenzenesulfonamide (CID 122398934) is N-[(E)-(3-chlorofluoren-9-ylidene)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-(3-chlorofluoren-9-ylidene)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(E)-(3-chlorofluoren-9-ylidene)methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N/C=C2\c3ccccc3-c3cc(Cl)ccc32)cc1.
What is the InChIKey of N-[(E)-(3-chlorofluoren-9-ylidene)methyl]-4-methylbenzenesulfonamide?
The InChIKey is OSJFRDPPMJBTLW-FYJGNVAPSA-N. The full InChI is InChI=1S/C21H16ClNO2S/c1-14-6-9-16(10-7-14)26(24,25)23-13-21-18-5-3-2-4-17(18)20-12-15(22)8-11-19(20)21/h2-13,23H,1H3/b21-13+.
What are the key properties of N-[(E)-(3-chlorofluoren-9-ylidene)methyl]-4-methylbenzenesulfonamide?
N-[(E)-(3-chlorofluoren-9-ylidene)methyl]-4-methylbenzenesulfonamide has a molecular weight of 381.88 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-chlorofluoren-9-ylidene)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 122398934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).