9-(benzenesulfonyl)-6-fluoro-2-methoxycarbazole

C19H14FNO3S — CID 138981130

IUPAC9-(benzenesulfonyl)-6-fluoro-2-methoxycarbazole
SMILESCOc1ccc2c3cc(F)ccc3n(S(=O)(=O)c3ccccc3)c2c1
InChIInChI=1S/C19H14FNO3S/c1-24-14-8-9-16-17-11-13(20)7-10-18(17)21(19(16)12-14)25(22,23)15-5-3-2-4-6-15/h2-12H,1H3
InChIKeyXULMYZCSMPRONY-UHFFFAOYSA-N
MW355.39 g/mol
LogP4.18
Rot. Bonds3

About 9-(benzenesulfonyl)-6-fluoro-2-methoxycarbazole

9-(benzenesulfonyl)-6-fluoro-2-methoxycarbazole (PubChem CID 138981130) has the molecular formula C19H14FNO3S and a molecular weight of 355.39 g/mol. Its IUPAC name is 9-(benzenesulfonyl)-6-fluoro-2-methoxycarbazole.

Molecular Properties

Compound Name9-(benzenesulfonyl)-6-fluoro-2-methoxycarbazole
PubChem CID138981130
Molecular FormulaC19H14FNO3S
Molecular Weight355.39 g/mol
Exact Mass355.07
IUPAC Name9-(benzenesulfonyl)-6-fluoro-2-methoxycarbazole
SMILESCOc1ccc2c3cc(F)ccc3n(S(=O)(=O)c3ccccc3)c2c1
InChIInChI=1S/C19H14FNO3S/c1-24-14-8-9-16-17-11-13(20)7-10-18(17)21(19(16)12-14)25(22,23)15-5-3-2-4-6-15/h2-12H,1H3
InChIKeyXULMYZCSMPRONY-UHFFFAOYSA-N
XLogP4.18
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-1H-indole-2-sulfonamide
CID 14476490
N-{2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl}-4-methylbenzene-1-sulfonamide
CID 363314
4-butyl-N-{2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl}benzene-1-sulfonamide
CID 24825398
N-{2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825399
N-{2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl}-4-phenylbenzene-1-sulfonamide
CID 24825401
4-(3-(4-methoxyphenyl)-1H-indol-2-yl)benzenesulfonamide
CID 10429739
3-(4-methoxyphenyl)-2-(4-(methylsulfonyl)phenyl)-1H-indole
CID 10452212
2-methoxy-9H-carbazole
CID 10797986
2,7-Dimethoxy-9H-carbazole
CID 12339399
4-(6-methoxy-1H-indol-1-ylsulfonyl)benzenamine
CID 44413495
4-[3-(4-(111C)methoxyphenyl)-1H-indol-2-yl]benzenesulfonamide
CID 168287185
[2-(1-Benzenesulfonyl-5-methoxy-2-methyl-1H-indol-3-yl)-ethyl]-dimethyl-amine
CID 9799635

Frequently Asked Questions

What is the IUPAC name of 9-(benzenesulfonyl)-6-fluoro-2-methoxycarbazole?
The IUPAC name of 9-(benzenesulfonyl)-6-fluoro-2-methoxycarbazole (CID 138981130) is 9-(benzenesulfonyl)-6-fluoro-2-methoxycarbazole.
What is the SMILES notation for 9-(benzenesulfonyl)-6-fluoro-2-methoxycarbazole?
The canonical SMILES for 9-(benzenesulfonyl)-6-fluoro-2-methoxycarbazole is COc1ccc2c3cc(F)ccc3n(S(=O)(=O)c3ccccc3)c2c1.
What is the InChIKey of 9-(benzenesulfonyl)-6-fluoro-2-methoxycarbazole?
The InChIKey is XULMYZCSMPRONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO3S/c1-24-14-8-9-16-17-11-13(20)7-10-18(17)21(19(16)12-14)25(22,23)15-5-3-2-4-6-15/h2-12H,1H3.
What are the key properties of 9-(benzenesulfonyl)-6-fluoro-2-methoxycarbazole?
9-(benzenesulfonyl)-6-fluoro-2-methoxycarbazole has a molecular weight of 355.39 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(benzenesulfonyl)-6-fluoro-2-methoxycarbazole is sourced from PubChem (CID 138981130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).