3-chloro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide

C17H17ClN2O3S — CID 90535166

IUPAC3-chloro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
SMILESCn1cc(C(O)CNS(=O)(=O)c2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C17H17ClN2O3S/c1-20-11-15(14-7-2-3-8-16(14)20)17(21)10-19-24(22,23)13-6-4-5-12(18)9-13/h2-9,11,17,19,21H,10H2,1H3
InChIKeyUJFPNDVJDBGDAM-UHFFFAOYSA-N
MW364.85 g/mol
LogP2.84
Rot. Bonds5

About 3-chloro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide

3-chloro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide (PubChem CID 90535166) has the molecular formula C17H17ClN2O3S and a molecular weight of 364.85 g/mol. Its IUPAC name is 3-chloro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
PubChem CID90535166
Molecular FormulaC17H17ClN2O3S
Molecular Weight364.85 g/mol
Exact Mass364.06
IUPAC Name3-chloro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
SMILESCn1cc(C(O)CNS(=O)(=O)c2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C17H17ClN2O3S/c1-20-11-15(14-7-2-3-8-16(14)20)17(21)10-19-24(22,23)13-6-4-5-12(18)9-13/h2-9,11,17,19,21H,10H2,1H3
InChIKeyUJFPNDVJDBGDAM-UHFFFAOYSA-N
XLogP2.84
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 52.84
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
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-methoxybenzenesulfonamide
CID 90535159
3,5-difluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
CID 90535169
3-chloro-N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-methylbenzenesulfonamide
CID 97414090
2,4-dichloro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-5-methylbenzenesulfonamide
CID 90535215
N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 97414114
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide
CID 90535155
N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1-methylimidazole-4-sulfonamide
CID 97415042
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 90535158
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-fluorobenzenesulfonamide
CID 90490875
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 90535201
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-chloro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide (CID 90535166) is 3-chloro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide is Cn1cc(C(O)CNS(=O)(=O)c2cccc(Cl)c2)c2ccccc21.
What is the InChIKey of 3-chloro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is UJFPNDVJDBGDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3S/c1-20-11-15(14-7-2-3-8-16(14)20)17(21)10-19-24(22,23)13-6-4-5-12(18)9-13/h2-9,11,17,19,21H,10H2,1H3.
What are the key properties of 3-chloro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide?
3-chloro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 364.85 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 90535166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).