N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,5-dimethylbenzenesulfonamide

C19H22N2O3S — CID 166232780

IUPACN-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NC(CO)Cc2c[nH]c3ccccc23)c1
InChIInChI=1S/C19H22N2O3S/c1-13-7-8-14(2)19(9-13)25(23,24)21-16(12-22)10-15-11-20-18-6-4-3-5-17(15)18/h3-9,11,16,20-22H,10,12H2,1-2H3
InChIKeySNCPFQOYANFMHV-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.67
Rot. Bonds6

About N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,5-dimethylbenzenesulfonamide

N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,5-dimethylbenzenesulfonamide (PubChem CID 166232780) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,5-dimethylbenzenesulfonamide
PubChem CID166232780
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NC(CO)Cc2c[nH]c3ccccc23)c1
InChIInChI=1S/C19H22N2O3S/c1-13-7-8-14(2)19(9-13)25(23,24)21-16(12-22)10-15-11-20-18-6-4-3-5-17(15)18/h3-9,11,16,20-22H,10,12H2,1-2H3
InChIKeySNCPFQOYANFMHV-UHFFFAOYSA-N
XLogP2.67
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-(1H-indol-3-yl)pent-4-en-2-yl]-2,5-dimethylbenzenesulfonamide
CID 155515871
5-fluoro-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]pyridine-3-sulfonamide
CID 97325949
N-[[3-[4-ethoxy-3-[[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]sulfamoyl]-5-methylphenyl]phenyl]methyl]ethanethioamide
CID 89240340
(2S)-3-(1H-indol-3-yl)-2-[(4-methylnaphthalen-1-yl)sulfonylamino]propanoic acid
CID 42080951
N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-(2-phenylphenyl)-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 25017846
N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3,5-dimethyl-1H-indole-2-carboxamide
CID 70718086
1-(2-fluoro-5-methylphenyl)-3-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]urea
CID 95347809
2-chloro-4-[3-[[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]sulfamoyl]-4-methoxyphenyl]-N-methylbenzamide
CID 69144153
5-(4-chlorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 71050406
5-[4-(1-hydroxyethylamino)phenyl]-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 71063624
N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4,5-dimethylthiophene-2-carboxamide
CID 124516062
5-(1,3-benzodioxol-5-yl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 25017844

Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,5-dimethylbenzenesulfonamide (CID 166232780) is N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NC(CO)Cc2c[nH]c3ccccc23)c1.
What is the InChIKey of N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is SNCPFQOYANFMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-13-7-8-14(2)19(9-13)25(23,24)21-16(12-22)10-15-11-20-18-6-4-3-5-17(15)18/h3-9,11,16,20-22H,10,12H2,1-2H3.
What are the key properties of N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,5-dimethylbenzenesulfonamide?
N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 358.46 g/mol, XLogP of 2.67, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 166232780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).