N-[(Z)-(2-chlorofluoren-9-ylidene)methyl]-4-methylbenzenesulfonamide

C21H16ClNO2S — CID 177429066

IUPACN-[(Z)-(2-chlorofluoren-9-ylidene)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/C=C2/c3ccccc3-c3ccc(Cl)cc32)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)19-11-8-15(22)12-20(19)21/h2-13,23H,1H3/b21-13-
InChIKeyIVGPSBGGAITJQA-BKUYFWCQSA-N
MW381.88 g/mol
LogP5.00
Rot. Bonds3

About N-[(Z)-(2-chlorofluoren-9-ylidene)methyl]-4-methylbenzenesulfonamide

N-[(Z)-(2-chlorofluoren-9-ylidene)methyl]-4-methylbenzenesulfonamide (PubChem CID 177429066) has the molecular formula C21H16ClNO2S and a molecular weight of 381.88 g/mol. Its IUPAC name is N-[(Z)-(2-chlorofluoren-9-ylidene)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-(2-chlorofluoren-9-ylidene)methyl]-4-methylbenzenesulfonamide
PubChem CID177429066
Molecular FormulaC21H16ClNO2S
Molecular Weight381.88 g/mol
Exact Mass381.06
IUPAC NameN-[(Z)-(2-chlorofluoren-9-ylidene)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/C=C2/c3ccccc3-c3ccc(Cl)cc32)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)19-11-8-15(22)12-20(19)21/h2-13,23H,1H3/b21-13-
InChIKeyIVGPSBGGAITJQA-BKUYFWCQSA-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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Related Compounds

N-[(E)-(3-chlorofluoren-9-ylidene)methyl]-4-methylbenzenesulfonamide
CID 122398934
4-methyl-N-[(1-methylfluoren-9-ylidene)methyl]benzenesulfonamide
CID 142732090
N-(4-chlorophenyl)sulfonyl-4-methylbenzenesulfonamide
CID 10593652
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
N-[(2,4-dichlorophenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 668213
4-(2-chlorophenyl)-N-methylbenzenesulfonamide
CID 174761183
N-[(4-chloro-2-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 171035196
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
3-chlorophenanthrene-9,10-dione
CID 67151037
N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-4-methylbenzenesulfonamide
CID 169370119
4-[2-(4-methylphenyl)phenyl]benzenesulfonamide
CID 23451018
4-methyl-N-[(E)-prop-1-enyl]benzenesulfonamide
CID 70973991

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-chlorofluoren-9-ylidene)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(Z)-(2-chlorofluoren-9-ylidene)methyl]-4-methylbenzenesulfonamide (CID 177429066) is N-[(Z)-(2-chlorofluoren-9-ylidene)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(Z)-(2-chlorofluoren-9-ylidene)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(Z)-(2-chlorofluoren-9-ylidene)methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N/C=C2/c3ccccc3-c3ccc(Cl)cc32)cc1.
What is the InChIKey of N-[(Z)-(2-chlorofluoren-9-ylidene)methyl]-4-methylbenzenesulfonamide?
The InChIKey is IVGPSBGGAITJQA-BKUYFWCQSA-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)19-11-8-15(22)12-20(19)21/h2-13,23H,1H3/b21-13-.
What are the key properties of N-[(Z)-(2-chlorofluoren-9-ylidene)methyl]-4-methylbenzenesulfonamide?
N-[(Z)-(2-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-[(Z)-(2-chlorofluoren-9-ylidene)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 177429066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).