N-[3-(5-fluoro-1H-indol-2-yl)phenyl]-4-methylbenzenesulfonamide

C21H17FN2O2S — CID 46375053

IUPACN-[3-(5-fluoro-1H-indol-2-yl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(-c3cc4cc(F)ccc4[nH]3)c2)cc1
InChIInChI=1S/C21H17FN2O2S/c1-14-5-8-19(9-6-14)27(25,26)24-18-4-2-3-15(12-18)21-13-16-11-17(22)7-10-20(16)23-21/h2-13,23-24H,1H3
InChIKeyKVMRAMNWXQMUGE-UHFFFAOYSA-N
MW380.44 g/mol
LogP5.08
Rot. Bonds4

About N-[3-(5-fluoro-1H-indol-2-yl)phenyl]-4-methylbenzenesulfonamide

N-[3-(5-fluoro-1H-indol-2-yl)phenyl]-4-methylbenzenesulfonamide (PubChem CID 46375053) has the molecular formula C21H17FN2O2S and a molecular weight of 380.44 g/mol. Its IUPAC name is N-[3-(5-fluoro-1H-indol-2-yl)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(5-fluoro-1H-indol-2-yl)phenyl]-4-methylbenzenesulfonamide
PubChem CID46375053
Molecular FormulaC21H17FN2O2S
Molecular Weight380.44 g/mol
Exact Mass380.10
IUPAC NameN-[3-(5-fluoro-1H-indol-2-yl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(-c3cc4cc(F)ccc4[nH]3)c2)cc1
InChIInChI=1S/C21H17FN2O2S/c1-14-5-8-19(9-6-14)27(25,26)24-18-4-2-3-15(12-18)21-13-16-11-17(22)7-10-20(16)23-21/h2-13,23-24H,1H3
InChIKeyKVMRAMNWXQMUGE-UHFFFAOYSA-N
XLogP5.08
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.44
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-N-[3-(5-fluoro-1H-indol-2-yl)phenyl]-2-methylbenzenesulfonamide
CID 46375065
4-fluoro-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzenesulfonamide
CID 46331701
4-methyl-N-[3-(6-oxo-1H-pyridin-2-yl)phenyl]benzenesulfonamide
CID 169371220
N-(3-fluorophenyl)-4-[4-(4-methylphenyl)sulfonylphenyl]benzenesulfonamide
CID 25037271
4-fluoro-N-(2-methyl-1H-indol-5-yl)benzenesulfonamide
CID 38943761
N-(7-fluoronaphthalen-2-yl)-4-methylbenzenesulfonamide
CID 132500915
4-acetyl-N-[3-(5-fluoro-1H-indol-2-yl)phenyl]-6-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
CID 46375056
4-methyl-N-(3-pyridin-4-ylphenyl)benzenesulfonamide
CID 169371905
N-[4-(3-fluoroanilino)phenyl]-4-methylbenzenesulfonamide
CID 112988985
4-fluoro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzenesulfonamide
CID 110428026
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
4-methyl-N-(3-quinolin-3-ylphenyl)benzenesulfonamide
CID 169371631

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-fluoro-1H-indol-2-yl)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-(5-fluoro-1H-indol-2-yl)phenyl]-4-methylbenzenesulfonamide (CID 46375053) is N-[3-(5-fluoro-1H-indol-2-yl)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-(5-fluoro-1H-indol-2-yl)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-(5-fluoro-1H-indol-2-yl)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc(-c3cc4cc(F)ccc4[nH]3)c2)cc1.
What is the InChIKey of N-[3-(5-fluoro-1H-indol-2-yl)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is KVMRAMNWXQMUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O2S/c1-14-5-8-19(9-6-14)27(25,26)24-18-4-2-3-15(12-18)21-13-16-11-17(22)7-10-20(16)23-21/h2-13,23-24H,1H3.
What are the key properties of N-[3-(5-fluoro-1H-indol-2-yl)phenyl]-4-methylbenzenesulfonamide?
N-[3-(5-fluoro-1H-indol-2-yl)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 380.44 g/mol, XLogP of 5.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-fluoro-1H-indol-2-yl)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 46375053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).