N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,4,6-trimethylbenzenesulfonamide

C20H24N2O3S — CID 10044812

IUPACN-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC(CO)Cc2c[nH]c3ccccc23)c(C)c1
InChIInChI=1S/C20H24N2O3S/c1-13-8-14(2)20(15(3)9-13)26(24,25)22-17(12-23)10-16-11-21-19-7-5-4-6-18(16)19/h4-9,11,17,21-23H,10,12H2,1-3H3
InChIKeyUNWNHLSZKFPNGB-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.98
Rot. Bonds6

About N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,4,6-trimethylbenzenesulfonamide

N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 10044812) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID10044812
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC(CO)Cc2c[nH]c3ccccc23)c(C)c1
InChIInChI=1S/C20H24N2O3S/c1-13-8-14(2)20(15(3)9-13)26(24,25)22-17(12-23)10-16-11-21-19-7-5-4-6-18(16)19/h4-9,11,17,21-23H,10,12H2,1-3H3
InChIKeyUNWNHLSZKFPNGB-UHFFFAOYSA-N
XLogP2.98
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,4,6-trimethylbenzenesulfonamide (CID 10044812) is N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NC(CO)Cc2c[nH]c3ccccc23)c(C)c1.
What is the InChIKey of N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is UNWNHLSZKFPNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-13-8-14(2)20(15(3)9-13)26(24,25)22-17(12-23)10-16-11-21-19-7-5-4-6-18(16)19/h4-9,11,17,21-23H,10,12H2,1-3H3.
What are the key properties of N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,4,6-trimethylbenzenesulfonamide?
N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 372.49 g/mol, XLogP of 2.98, 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]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 10044812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).