N-[3-[3-(4-amino-3-hydroxyphenyl)pentan-3-yl]-1H-indol-7-yl]methanesulfonamide

C20H25N3O3S — CID 58731218

IUPACN-[3-[3-(4-amino-3-hydroxyphenyl)pentan-3-yl]-1H-indol-7-yl]methanesulfonamide
SMILESCCC(CC)(c1ccc(N)c(O)c1)c1c[nH]c2c(NS(C)(=O)=O)cccc12
InChIInChI=1S/C20H25N3O3S/c1-4-20(5-2,13-9-10-16(21)18(24)11-13)15-12-22-19-14(15)7-6-8-17(19)23-27(3,25)26/h6-12,22-24H,4-5,21H2,1-3H3
InChIKeyZZXBLMSGGFPNOH-UHFFFAOYSA-N
MW387.51 g/mol
LogP3.93
Rot. Bonds6

About N-[3-[3-(4-amino-3-hydroxyphenyl)pentan-3-yl]-1H-indol-7-yl]methanesulfonamide

N-[3-[3-(4-amino-3-hydroxyphenyl)pentan-3-yl]-1H-indol-7-yl]methanesulfonamide (PubChem CID 58731218) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[3-[3-(4-amino-3-hydroxyphenyl)pentan-3-yl]-1H-indol-7-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[3-(4-amino-3-hydroxyphenyl)pentan-3-yl]-1H-indol-7-yl]methanesulfonamide
PubChem CID58731218
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-[3-[3-(4-amino-3-hydroxyphenyl)pentan-3-yl]-1H-indol-7-yl]methanesulfonamide
SMILESCCC(CC)(c1ccc(N)c(O)c1)c1c[nH]c2c(NS(C)(=O)=O)cccc12
InChIInChI=1S/C20H25N3O3S/c1-4-20(5-2,13-9-10-16(21)18(24)11-13)15-12-22-19-14(15)7-6-8-17(19)23-27(3,25)26/h6-12,22-24H,4-5,21H2,1-3H3
InChIKeyZZXBLMSGGFPNOH-UHFFFAOYSA-N
XLogP3.93
TPSA108.21 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[3-[3-(3-fluorophenyl)pentan-3-yl]-1H-indol-7-yl]methanesulfonamide
CID 58731232
N-[3-[3-(1,3-benzoxazol-6-yl)pentan-3-yl]-1H-indol-7-yl]methanesulfonamide
CID 58731254
N-[3-[3-(2-fluorophenyl)pentan-3-yl]-1H-indol-7-yl]methanesulfonamide
CID 58731339
N-[6-[3-[7-(methanesulfonamido)-1H-indol-3-yl]pentan-3-yl]-1,3-benzothiazol-2-yl]acetamide
CID 58731188
N-[3-[2-(4-methylsulfanylphenyl)propan-2-yl]-1H-indol-7-yl]methanesulfonamide
CID 142928078
N-[3-[1-cyclopropyl-1-(4-methylphenyl)ethyl]-1H-indol-7-yl]methanesulfonamide
CID 58731245
N-[3-[(1R)-1-(4-chlorophenyl)-1-cyclopropylethyl]-1H-indol-7-yl]methanesulfonamide
CID 58731292
N-[3-[3-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]pentan-3-yl]-1H-indol-7-yl]methanesulfonamide
CID 91200247
3-[3-(5-fluoro-1-benzothiophen-2-yl)pentan-3-yl]-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1H-indol-7-amine
CID 142928044
N-[3-[(1S)-1-cyclopropyl-1-(2-fluorophenyl)ethyl]-1H-indol-7-yl]methanesulfonamide
CID 58731329
N-[2-[bis(7-ethyl-1H-indol-3-yl)methyl]phenyl]methanesulfonamide
CID 42609985
ethyl 3-(4-fluoro-2-methylphenyl)-3-[7-(methanesulfonamido)-1H-indol-3-yl]propanoate
CID 58364566

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(4-amino-3-hydroxyphenyl)pentan-3-yl]-1H-indol-7-yl]methanesulfonamide?
The IUPAC name of N-[3-[3-(4-amino-3-hydroxyphenyl)pentan-3-yl]-1H-indol-7-yl]methanesulfonamide (CID 58731218) is N-[3-[3-(4-amino-3-hydroxyphenyl)pentan-3-yl]-1H-indol-7-yl]methanesulfonamide.
What is the SMILES notation for N-[3-[3-(4-amino-3-hydroxyphenyl)pentan-3-yl]-1H-indol-7-yl]methanesulfonamide?
The canonical SMILES for N-[3-[3-(4-amino-3-hydroxyphenyl)pentan-3-yl]-1H-indol-7-yl]methanesulfonamide is CCC(CC)(c1ccc(N)c(O)c1)c1c[nH]c2c(NS(C)(=O)=O)cccc12.
What is the InChIKey of N-[3-[3-(4-amino-3-hydroxyphenyl)pentan-3-yl]-1H-indol-7-yl]methanesulfonamide?
The InChIKey is ZZXBLMSGGFPNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-4-20(5-2,13-9-10-16(21)18(24)11-13)15-12-22-19-14(15)7-6-8-17(19)23-27(3,25)26/h6-12,22-24H,4-5,21H2,1-3H3.
What are the key properties of N-[3-[3-(4-amino-3-hydroxyphenyl)pentan-3-yl]-1H-indol-7-yl]methanesulfonamide?
N-[3-[3-(4-amino-3-hydroxyphenyl)pentan-3-yl]-1H-indol-7-yl]methanesulfonamide has a molecular weight of 387.51 g/mol, XLogP of 3.93, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(4-amino-3-hydroxyphenyl)pentan-3-yl]-1H-indol-7-yl]methanesulfonamide is sourced from PubChem (CID 58731218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).