4-fluoro-3-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)benzenesulfonamide

C16H17FN2O4S2 — CID 112506309

IUPAC4-fluoro-3-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CC3)ccc1F
InChIInChI=1S/C16H17FN2O4S2/c1-11-9-14(5-6-15(11)17)25(22,23)18-13-4-3-12-7-8-19(16(12)10-13)24(2,20)21/h3-6,9-10,18H,7-8H2,1-2H3
InChIKeyXQAMPGIBUBSDNQ-UHFFFAOYSA-N
MW384.45 g/mol
LogP2.26
Rot. Bonds4

About 4-fluoro-3-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)benzenesulfonamide

4-fluoro-3-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)benzenesulfonamide (PubChem CID 112506309) has the molecular formula C16H17FN2O4S2 and a molecular weight of 384.45 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)benzenesulfonamide
PubChem CID112506309
Molecular FormulaC16H17FN2O4S2
Molecular Weight384.45 g/mol
Exact Mass384.06
IUPAC Name4-fluoro-3-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CC3)ccc1F
InChIInChI=1S/C16H17FN2O4S2/c1-11-9-14(5-6-15(11)17)25(22,23)18-13-4-3-12-7-8-19(16(12)10-13)24(2,20)21/h3-6,9-10,18H,7-8H2,1-2H3
InChIKeyXQAMPGIBUBSDNQ-UHFFFAOYSA-N
XLogP2.26
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)benzenesulfonamide
CID 112506311
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 7517975
2-fluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 7517968
4-methoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 7517962
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 112505838
3,4-difluoro-N-[1-(3-methylsulfonylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
CID 175293375
4-fluoro-3-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 27604913
4-fluoro-3-methyl-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 100696551
4-chloro-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 20963050
1-(4-chloro-2-fluorophenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea
CID 46386232
4-fluoro-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-3-methylbenzenesulfonamide
CID 7636257
4-fluoro-3-methyl-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide
CID 16944128

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)benzenesulfonamide (CID 112506309) is 4-fluoro-3-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)benzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CC3)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)benzenesulfonamide?
The InChIKey is XQAMPGIBUBSDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4S2/c1-11-9-14(5-6-15(11)17)25(22,23)18-13-4-3-12-7-8-19(16(12)10-13)24(2,20)21/h3-6,9-10,18H,7-8H2,1-2H3.
What are the key properties of 4-fluoro-3-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)benzenesulfonamide?
4-fluoro-3-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)benzenesulfonamide has a molecular weight of 384.45 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)benzenesulfonamide is sourced from PubChem (CID 112506309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).