N-[(R)-(5-methoxy-1H-indol-3-yl)-phenylmethyl]benzenesulfonamide

C22H20N2O3S — CID 141133880

IUPACN-[(R)-(5-methoxy-1H-indol-3-yl)-phenylmethyl]benzenesulfonamide
SMILESCOc1ccc2[nH]cc([C@H](NS(=O)(=O)c3ccccc3)c3ccccc3)c2c1
InChIInChI=1S/C22H20N2O3S/c1-27-17-12-13-21-19(14-17)20(15-23-21)22(16-8-4-2-5-9-16)24-28(25,26)18-10-6-3-7-11-18/h2-15,22-24H,1H3/t22-/m1/s1
InChIKeyDIYBCHULNCXHLE-JOCHJYFZSA-N
MW392.48 g/mol
LogP4.24
Rot. Bonds6

About N-[(R)-(5-methoxy-1H-indol-3-yl)-phenylmethyl]benzenesulfonamide

N-[(R)-(5-methoxy-1H-indol-3-yl)-phenylmethyl]benzenesulfonamide (PubChem CID 141133880) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[(R)-(5-methoxy-1H-indol-3-yl)-phenylmethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(R)-(5-methoxy-1H-indol-3-yl)-phenylmethyl]benzenesulfonamide
PubChem CID141133880
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC NameN-[(R)-(5-methoxy-1H-indol-3-yl)-phenylmethyl]benzenesulfonamide
SMILESCOc1ccc2[nH]cc([C@H](NS(=O)(=O)c3ccccc3)c3ccccc3)c2c1
InChIInChI=1S/C22H20N2O3S/c1-27-17-12-13-21-19(14-17)20(15-23-21)22(16-8-4-2-5-9-16)24-28(25,26)18-10-6-3-7-11-18/h2-15,22-24H,1H3/t22-/m1/s1
InChIKeyDIYBCHULNCXHLE-JOCHJYFZSA-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-[(4-methoxy-1H-indol-3-yl)-phenylmethyl]benzenesulfonamide
CID 102386429
N-[(S)-(4-methoxyphenyl)-phenylmethyl]naphthalene-2-sulfonamide
CID 1259617
3-(5-methoxy-1H-indol-3-yl)-3-phenylpropan-1-ol
CID 177308406
5-methoxy-3-[(1R)-2-nitro-1-phenylethyl]-1H-indole
CID 93117865
5-methoxy-3-[(1S)-2-nitro-1-phenylethyl]-1H-indole
CID 93117864
3-[benzenesulfonyl-(3-methoxyphenyl)methyl]-1H-indole
CID 134850362
(2S)-N-[2-(1H-indol-3-yl)-2-phenylethyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 24599842
N-[(5-methoxy-1H-indol-3-yl)-phenylmethyl]-N-methylaniline
CID 57379324
(2R)-2-[[1-(5-methoxy-1H-indol-3-yl)-2-phenylethyl]amino]-2-phenylacetic acid
CID 54203578
(5-methoxy-1H-indol-3-yl)-(4-methylphenyl)sulfonylmethanol
CID 66853258
4-(5-methoxy-1H-indol-3-yl)pentanoic acid
CID 115420787
N-[(R)-(2,4-dimethylphenyl)-phenylmethyl]-6-methoxynaphthalene-2-sulfonamide
CID 100697968

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(5-methoxy-1H-indol-3-yl)-phenylmethyl]benzenesulfonamide?
The IUPAC name of N-[(R)-(5-methoxy-1H-indol-3-yl)-phenylmethyl]benzenesulfonamide (CID 141133880) is N-[(R)-(5-methoxy-1H-indol-3-yl)-phenylmethyl]benzenesulfonamide.
What is the SMILES notation for N-[(R)-(5-methoxy-1H-indol-3-yl)-phenylmethyl]benzenesulfonamide?
The canonical SMILES for N-[(R)-(5-methoxy-1H-indol-3-yl)-phenylmethyl]benzenesulfonamide is COc1ccc2[nH]cc([C@H](NS(=O)(=O)c3ccccc3)c3ccccc3)c2c1.
What is the InChIKey of N-[(R)-(5-methoxy-1H-indol-3-yl)-phenylmethyl]benzenesulfonamide?
The InChIKey is DIYBCHULNCXHLE-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-27-17-12-13-21-19(14-17)20(15-23-21)22(16-8-4-2-5-9-16)24-28(25,26)18-10-6-3-7-11-18/h2-15,22-24H,1H3/t22-/m1/s1.
What are the key properties of N-[(R)-(5-methoxy-1H-indol-3-yl)-phenylmethyl]benzenesulfonamide?
N-[(R)-(5-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-[(R)-(5-methoxy-1H-indol-3-yl)-phenylmethyl]benzenesulfonamide is sourced from PubChem (CID 141133880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).