2,5-dichloro-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzenesulfonamide

C17H16Cl2N2O3S — CID 124760956

IUPAC2,5-dichloro-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzenesulfonamide
SMILESCn1ccc2cc([C@H](O)CNS(=O)(=O)c3cc(Cl)ccc3Cl)ccc21
InChIInChI=1S/C17H16Cl2N2O3S/c1-21-7-6-11-8-12(2-5-15(11)21)16(22)10-20-25(23,24)17-9-13(18)3-4-14(17)19/h2-9,16,20,22H,10H2,1H3/t16-/m1/s1
InChIKeyRPXMDZTVZITBBF-MRXNPFEDSA-N
MW399.30 g/mol
LogP3.50
Rot. Bonds5

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

2,5-dichloro-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzenesulfonamide (PubChem CID 124760956) has the molecular formula C17H16Cl2N2O3S and a molecular weight of 399.30 g/mol. Its IUPAC name is 2,5-dichloro-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzenesulfonamide
PubChem CID124760956
Molecular FormulaC17H16Cl2N2O3S
Molecular Weight399.30 g/mol
Exact Mass398.03
IUPAC Name2,5-dichloro-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzenesulfonamide
SMILESCn1ccc2cc([C@H](O)CNS(=O)(=O)c3cc(Cl)ccc3Cl)ccc21
InChIInChI=1S/C17H16Cl2N2O3S/c1-21-7-6-11-8-12(2-5-15(11)21)16(22)10-20-25(23,24)17-9-13(18)3-4-14(17)19/h2-9,16,20,22H,10H2,1H3/t16-/m1/s1
InChIKeyRPXMDZTVZITBBF-MRXNPFEDSA-N
XLogP3.50
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.30
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-2-(o-fluorophenylsulfonylamino)-1-(1-methyl-3-indolyl)-1-ethanol
CID 97414078
N-[3-[(1R)-1-hydroxy-2-[[2-methyl-4-[5-(2,2,2-trifluoro-1-hydroxyethyl)indol-1-yl]butan-2-yl]amino]ethyl]phenyl]benzenesulfonamide
CID 58875137
1-[[5-[(3-chloro-4-fluoroanilino)-hydroxymethyl]-1H-indol-7-yl]sulfonyl]piperidin-4-ol
CID 126625116
2-fluoro-N-(2-hydroxy-2-(1-methyl-1H-indol-3-yl)ethyl)benzenesulfonamide
CID 71788684
3-chloro-4-fluoro-N-(2-hydroxy-2-(1-methyl-1H-indol-3-yl)ethyl)benzenesulfonamide
CID 71788692
N-[3-[1-hydroxy-2-[[2-methyl-4-[5-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]indol-1-yl]butan-2-yl]amino]ethyl]phenyl]benzenesulfonamide
CID 87458633
4-fluoro-N-(2-hydroxy-2-(1-methyl-1H-indol-3-yl)ethyl)benzenesulfonamide
CID 90535149
3-fluoro-N-(2-hydroxy-2-(1-methyl-1H-indol-3-yl)ethyl)benzenesulfonamide
CID 90535150
3,4-difluoro-N-(2-hydroxy-2-(1-methyl-1H-indol-3-yl)ethyl)benzenesulfonamide
CID 90535168
3,5-difluoro-N-(2-hydroxy-2-(1-methyl-1H-indol-3-yl)ethyl)benzenesulfonamide
CID 90535169
2,5-difluoro-N-(2-hydroxy-2-(1-methyl-1H-indol-3-yl)ethyl)benzenesulfonamide
CID 90535170
2,4-difluoro-N-(2-hydroxy-2-(1-methyl-1H-indol-3-yl)ethyl)benzenesulfonamide
CID 90535172

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzenesulfonamide (CID 124760956) is 2,5-dichloro-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzenesulfonamide is Cn1ccc2cc([C@H](O)CNS(=O)(=O)c3cc(Cl)ccc3Cl)ccc21.
What is the InChIKey of 2,5-dichloro-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is RPXMDZTVZITBBF-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3S/c1-21-7-6-11-8-12(2-5-15(11)21)16(22)10-20-25(23,24)17-9-13(18)3-4-14(17)19/h2-9,16,20,22H,10H2,1H3/t16-/m1/s1.
What are the key properties of 2,5-dichloro-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzenesulfonamide?
2,5-dichloro-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 399.30 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 124760956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).