3,5-difluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide

C17H16F2N2O3S — CID 90535169

IUPAC3,5-difluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
SMILESCn1cc(C(O)CNS(=O)(=O)c2cc(F)cc(F)c2)c2ccccc21
InChIInChI=1S/C17H16F2N2O3S/c1-21-10-15(14-4-2-3-5-16(14)21)17(22)9-20-25(23,24)13-7-11(18)6-12(19)8-13/h2-8,10,17,20,22H,9H2,1H3
InChIKeyDZCSEMRVMDMXGK-UHFFFAOYSA-N
MW366.39 g/mol
LogP2.47
Rot. Bonds5

About 3,5-difluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide

3,5-difluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide (PubChem CID 90535169) has the molecular formula C17H16F2N2O3S and a molecular weight of 366.39 g/mol. Its IUPAC name is 3,5-difluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-difluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
PubChem CID90535169
Molecular FormulaC17H16F2N2O3S
Molecular Weight366.39 g/mol
Exact Mass366.08
IUPAC Name3,5-difluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
SMILESCn1cc(C(O)CNS(=O)(=O)c2cc(F)cc(F)c2)c2ccccc21
InChIInChI=1S/C17H16F2N2O3S/c1-21-10-15(14-4-2-3-5-16(14)21)17(22)9-20-25(23,24)13-7-11(18)6-12(19)8-13/h2-8,10,17,20,22H,9H2,1H3
InChIKeyDZCSEMRVMDMXGK-UHFFFAOYSA-N
XLogP2.47
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-methylbenzenesulfonamide
CID 90535146
3-chloro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
CID 90535166
N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 97414114
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-methoxybenzenesulfonamide
CID 90535159
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide
CID 90535155
2,4-dichloro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-5-methylbenzenesulfonamide
CID 90535215
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-fluorobenzenesulfonamide
CID 90490875
N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1-methylimidazole-4-sulfonamide
CID 97415042
3-chloro-N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-methylbenzenesulfonamide
CID 97414090
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 90535201
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 90535181
N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 97414088

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3,5-difluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide (CID 90535169) is 3,5-difluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3,5-difluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3,5-difluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide is Cn1cc(C(O)CNS(=O)(=O)c2cc(F)cc(F)c2)c2ccccc21.
What is the InChIKey of 3,5-difluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is DZCSEMRVMDMXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O3S/c1-21-10-15(14-4-2-3-5-16(14)21)17(22)9-20-25(23,24)13-7-11(18)6-12(19)8-13/h2-8,10,17,20,22H,9H2,1H3.
What are the key properties of 3,5-difluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide?
3,5-difluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 366.39 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 90535169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).