6-chloro-1-methyl-9-(4-methylphenyl)sulfonylcarbazole

C20H16ClNO2S — CID 102042180

IUPAC6-chloro-1-methyl-9-(4-methylphenyl)sulfonylcarbazole
SMILESCc1ccc(S(=O)(=O)n2c3ccc(Cl)cc3c3cccc(C)c32)cc1
InChIInChI=1S/C20H16ClNO2S/c1-13-6-9-16(10-7-13)25(23,24)22-19-11-8-15(21)12-18(19)17-5-3-4-14(2)20(17)22/h3-12H,1-2H3
InChIKeyUEEVECQXNWYEJF-UHFFFAOYSA-N
MW369.87 g/mol
LogP5.30
Rot. Bonds2

About 6-chloro-1-methyl-9-(4-methylphenyl)sulfonylcarbazole

6-chloro-1-methyl-9-(4-methylphenyl)sulfonylcarbazole (PubChem CID 102042180) has the molecular formula C20H16ClNO2S and a molecular weight of 369.87 g/mol. Its IUPAC name is 6-chloro-1-methyl-9-(4-methylphenyl)sulfonylcarbazole.

Molecular Properties

Compound Name6-chloro-1-methyl-9-(4-methylphenyl)sulfonylcarbazole
PubChem CID102042180
Molecular FormulaC20H16ClNO2S
Molecular Weight369.87 g/mol
Exact Mass369.06
IUPAC Name6-chloro-1-methyl-9-(4-methylphenyl)sulfonylcarbazole
SMILESCc1ccc(S(=O)(=O)n2c3ccc(Cl)cc3c3cccc(C)c32)cc1
InChIInChI=1S/C20H16ClNO2S/c1-13-6-9-16(10-7-13)25(23,24)22-19-11-8-15(21)12-18(19)17-5-3-4-14(2)20(17)22/h3-12H,1-2H3
InChIKeyUEEVECQXNWYEJF-UHFFFAOYSA-N
XLogP5.30
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.87
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,8-dibromo-5,10-bis-(4-methylphenyl)sulfonylindolo[3,2-b]indole
CID 139048804
3-acetyl-5-chloro-N,N-dimethyl-1-(4-methylphenyl)sulfonylindole-2-carboxamide
CID 11553523
3-iodo-7-methyl-1-(4-methylphenyl)sulfonylindole
CID 118449865
1-(benzenesulfonyl)-5-chloro-3-methylindole-2-sulfonyl chloride
CID 88924885
3-methyl-1-(4-methylphenyl)-9-(4-methylphenyl)sulfonylpyrido[3,4-b]indole
CID 132547779
3-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazol-3-yl]carbazole
CID 24814813
3-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]-9-[9-[9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazole
CID 25209134
2-(4-chlorophenyl)-5-fluoro-3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylindole
CID 132506395
4-(bromomethyl)-2-methyl-1-(4-methylphenyl)sulfonylindole
CID 135323831
1,2,4-trimethyl-9-(4-methylphenyl)sulfonyl-6-(2,4,6-trimethylphenyl)carbazole
CID 177459365
6-chloro-3-ethoxy-2-methyl-1-(4-methylphenyl)sulfonylindole
CID 173212087
(2R,3R)-2,3-bis(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-cyclopenta[b]indole
CID 132600989

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methyl-9-(4-methylphenyl)sulfonylcarbazole?
The IUPAC name of 6-chloro-1-methyl-9-(4-methylphenyl)sulfonylcarbazole (CID 102042180) is 6-chloro-1-methyl-9-(4-methylphenyl)sulfonylcarbazole.
What is the SMILES notation for 6-chloro-1-methyl-9-(4-methylphenyl)sulfonylcarbazole?
The canonical SMILES for 6-chloro-1-methyl-9-(4-methylphenyl)sulfonylcarbazole is Cc1ccc(S(=O)(=O)n2c3ccc(Cl)cc3c3cccc(C)c32)cc1.
What is the InChIKey of 6-chloro-1-methyl-9-(4-methylphenyl)sulfonylcarbazole?
The InChIKey is UEEVECQXNWYEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO2S/c1-13-6-9-16(10-7-13)25(23,24)22-19-11-8-15(21)12-18(19)17-5-3-4-14(2)20(17)22/h3-12H,1-2H3.
What are the key properties of 6-chloro-1-methyl-9-(4-methylphenyl)sulfonylcarbazole?
6-chloro-1-methyl-9-(4-methylphenyl)sulfonylcarbazole has a molecular weight of 369.87 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methyl-9-(4-methylphenyl)sulfonylcarbazole is sourced from PubChem (CID 102042180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).