N-[(1-chloro-9H-fluoren-9-yl)methyl]-4-methylbenzenesulfonamide

C21H18ClNO2S — CID 142732070

IUPACN-[(1-chloro-9H-fluoren-9-yl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2c3ccccc3-c3cccc(Cl)c32)cc1
InChIInChI=1S/C21H18ClNO2S/c1-14-9-11-15(12-10-14)26(24,25)23-13-19-17-6-3-2-5-16(17)18-7-4-8-20(22)21(18)19/h2-12,19,23H,13H2,1H3
InChIKeyMNDWNTACHHHFNX-UHFFFAOYSA-N
MW383.90 g/mol
LogP4.74
Rot. Bonds4

About N-[(1-chloro-9H-fluoren-9-yl)methyl]-4-methylbenzenesulfonamide

N-[(1-chloro-9H-fluoren-9-yl)methyl]-4-methylbenzenesulfonamide (PubChem CID 142732070) has the molecular formula C21H18ClNO2S and a molecular weight of 383.90 g/mol. Its IUPAC name is N-[(1-chloro-9H-fluoren-9-yl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-chloro-9H-fluoren-9-yl)methyl]-4-methylbenzenesulfonamide
PubChem CID142732070
Molecular FormulaC21H18ClNO2S
Molecular Weight383.90 g/mol
Exact Mass383.07
IUPAC NameN-[(1-chloro-9H-fluoren-9-yl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2c3ccccc3-c3cccc(Cl)c32)cc1
InChIInChI=1S/C21H18ClNO2S/c1-14-9-11-15(12-10-14)26(24,25)23-13-19-17-6-3-2-5-16(17)18-7-4-8-20(22)21(18)19/h2-12,19,23H,13H2,1H3
InChIKeyMNDWNTACHHHFNX-UHFFFAOYSA-N
XLogP4.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.90
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-2-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 58009712
4-methyl-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]benzenesulfonamide
CID 7335395
N-[1-(9H-fluoren-9-yl)-3,3-dimethyl-2-phenylbutan-2-yl]-4-methylbenzenesulfonamide
CID 15709124
N-[[4-(aminomethyl)cyclohexyl]methyl]-4-methylbenzenesulfonamide
CID 71213352
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzenesulfonamide
CID 17101564
N-(cycloheptylmethyl)-4-methylbenzenesulfonamide
CID 134942537
2,3-dichloro-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide
CID 8500668
N-(bromomethyl)-4-methylbenzenesulfonamide
CID 20609777
4-methyl-N-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide
CID 998279
N-[[(1R,2R)-2-(chloromethyl)cyclopentyl]methyl]-4-methylbenzenesulfonamide
CID 23248440
4-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 47190253
4-methyl-N-[[(2R)-oxiran-2-yl]methyl]benzenesulfonamide
CID 10398836

Frequently Asked Questions

What is the IUPAC name of N-[(1-chloro-9H-fluoren-9-yl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(1-chloro-9H-fluoren-9-yl)methyl]-4-methylbenzenesulfonamide (CID 142732070) is N-[(1-chloro-9H-fluoren-9-yl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1-chloro-9H-fluoren-9-yl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(1-chloro-9H-fluoren-9-yl)methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCC2c3ccccc3-c3cccc(Cl)c32)cc1.
What is the InChIKey of N-[(1-chloro-9H-fluoren-9-yl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is MNDWNTACHHHFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO2S/c1-14-9-11-15(12-10-14)26(24,25)23-13-19-17-6-3-2-5-16(17)18-7-4-8-20(22)21(18)19/h2-12,19,23H,13H2,1H3.
What are the key properties of N-[(1-chloro-9H-fluoren-9-yl)methyl]-4-methylbenzenesulfonamide?
N-[(1-chloro-9H-fluoren-9-yl)methyl]-4-methylbenzenesulfonamide has a molecular weight of 383.90 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-chloro-9H-fluoren-9-yl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 142732070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).