N-[(4-methoxy-1H-indol-3-yl)-phenylmethyl]benzenesulfonamide

C22H20N2O3S — CID 102386429

IUPACN-[(4-methoxy-1H-indol-3-yl)-phenylmethyl]benzenesulfonamide
SMILESCOc1cccc2[nH]cc(C(NS(=O)(=O)c3ccccc3)c3ccccc3)c12
InChIInChI=1S/C22H20N2O3S/c1-27-20-14-8-13-19-21(20)18(15-23-19)22(16-9-4-2-5-10-16)24-28(25,26)17-11-6-3-7-12-17/h2-15,22-24H,1H3
InChIKeyWVOJKCFXYDWILD-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.24
Rot. Bonds6

About N-[(4-methoxy-1H-indol-3-yl)-phenylmethyl]benzenesulfonamide

N-[(4-methoxy-1H-indol-3-yl)-phenylmethyl]benzenesulfonamide (PubChem CID 102386429) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[(4-methoxy-1H-indol-3-yl)-phenylmethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(4-methoxy-1H-indol-3-yl)-phenylmethyl]benzenesulfonamide
PubChem CID102386429
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC NameN-[(4-methoxy-1H-indol-3-yl)-phenylmethyl]benzenesulfonamide
SMILESCOc1cccc2[nH]cc(C(NS(=O)(=O)c3ccccc3)c3ccccc3)c12
InChIInChI=1S/C22H20N2O3S/c1-27-20-14-8-13-19-21(20)18(15-23-19)22(16-9-4-2-5-10-16)24-28(25,26)17-11-6-3-7-12-17/h2-15,22-24H,1H3
InChIKeyWVOJKCFXYDWILD-UHFFFAOYSA-N
XLogP4.24
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(R)-(5-methoxy-1H-indol-3-yl)-phenylmethyl]benzenesulfonamide
CID 141133880
4-(4-methoxy-1H-indol-3-yl)-N-methyl-4-phenylbutan-1-amine
CID 58088594
1-[(3S)-3-(4-methoxy-1H-indol-3-yl)-3-phenylpropyl]-2-[3-(4-methoxy-1H-indol-3-yl)-3-phenylpropyl]-1,2-dimethylhydrazine
CID 67268953
N-[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 41090894
1-(4-methoxy-1H-indol-3-yl)ethanol
CID 117194998
(1S)-1-(4-methoxy-1H-indol-3-yl)ethanol
CID 83173825
N-[(4-chlorophenyl)-(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 122208016
N-[2-(1H-indol-3-yl)-2-phenylethyl]-3,4-dimethoxybenzenesulfonamide
CID 43001237
3-(4-chloro-1H-indol-3-yl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine
CID 58088517
N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 55435875
4-methoxy-1H-indole-3-sulfonyl chloride
CID 24749816
(3R)-3-(4-methoxy-1H-indol-3-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-phenylpropanamide
CID 97266539

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-1H-indol-3-yl)-phenylmethyl]benzenesulfonamide?
The IUPAC name of N-[(4-methoxy-1H-indol-3-yl)-phenylmethyl]benzenesulfonamide (CID 102386429) is N-[(4-methoxy-1H-indol-3-yl)-phenylmethyl]benzenesulfonamide.
What is the SMILES notation for N-[(4-methoxy-1H-indol-3-yl)-phenylmethyl]benzenesulfonamide?
The canonical SMILES for N-[(4-methoxy-1H-indol-3-yl)-phenylmethyl]benzenesulfonamide is COc1cccc2[nH]cc(C(NS(=O)(=O)c3ccccc3)c3ccccc3)c12.
What is the InChIKey of N-[(4-methoxy-1H-indol-3-yl)-phenylmethyl]benzenesulfonamide?
The InChIKey is WVOJKCFXYDWILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-27-20-14-8-13-19-21(20)18(15-23-19)22(16-9-4-2-5-10-16)24-28(25,26)17-11-6-3-7-12-17/h2-15,22-24H,1H3.
What are the key properties of N-[(4-methoxy-1H-indol-3-yl)-phenylmethyl]benzenesulfonamide?
N-[(4-methoxy-1H-indol-3-yl)-phenylmethyl]benzenesulfonamide has a molecular weight of 392.48 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-1H-indol-3-yl)-phenylmethyl]benzenesulfonamide is sourced from PubChem (CID 102386429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).