N-[5-(5-bromoindol-1-yl)sulfonyl-2-methoxyphenyl]piperidin-4-amine;hydrochloride

C20H23BrClN3O3S — CID 71455435

IUPACN-[5-(5-bromoindol-1-yl)sulfonyl-2-methoxyphenyl]piperidin-4-amine;hydrochloride
SMILESCOc1ccc(S(=O)(=O)n2ccc3cc(Br)ccc32)cc1NC1CCNCC1.Cl
InChIInChI=1S/C20H22BrN3O3S.ClH/c1-27-20-5-3-17(13-18(20)23-16-6-9-22-10-7-16)28(25,26)24-11-8-14-12-15(21)2-4-19(14)24;/h2-5,8,11-13,16,22-23H,6-7,9-10H2,1H3;1H
InChIKeyZARSGHDEYZOPBX-UHFFFAOYSA-N
MW500.85 g/mol
LogP4.24
Rot. Bonds5

About N-[5-(5-bromoindol-1-yl)sulfonyl-2-methoxyphenyl]piperidin-4-amine;hydrochloride

N-[5-(5-bromoindol-1-yl)sulfonyl-2-methoxyphenyl]piperidin-4-amine;hydrochloride (PubChem CID 71455435) has the molecular formula C20H23BrClN3O3S and a molecular weight of 500.85 g/mol. Its IUPAC name is N-[5-(5-bromoindol-1-yl)sulfonyl-2-methoxyphenyl]piperidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-[5-(5-bromoindol-1-yl)sulfonyl-2-methoxyphenyl]piperidin-4-amine;hydrochloride
PubChem CID71455435
Molecular FormulaC20H23BrClN3O3S
Molecular Weight500.85 g/mol
Exact Mass499.03
IUPAC NameN-[5-(5-bromoindol-1-yl)sulfonyl-2-methoxyphenyl]piperidin-4-amine;hydrochloride
SMILESCOc1ccc(S(=O)(=O)n2ccc3cc(Br)ccc32)cc1NC1CCNCC1.Cl
InChIInChI=1S/C20H22BrN3O3S.ClH/c1-27-20-5-3-17(13-18(20)23-16-6-9-22-10-7-16)28(25,26)24-11-8-14-12-15(21)2-4-19(14)24;/h2-5,8,11-13,16,22-23H,6-7,9-10H2,1H3;1H
InChIKeyZARSGHDEYZOPBX-UHFFFAOYSA-N
XLogP4.24
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.85
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(5-bromoindol-1-yl)sulfonyl-2-methoxyphenyl]piperidin-4-amine
CID 71455436
1-(3,4-dimethoxyphenyl)sulfonyl-5-piperazin-1-ylindole;dihydrochloride
CID 69051523
N-[5-(5-bromo-2-methoxyphenyl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine;hydrochloride
CID 53302892
N-[2-chloro-5-(6-methoxyindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine;hydrochloride
CID 71462619
6-bromo-3-(difluoromethyl)-1-(4-methoxy-3-piperidin-4-ylphenyl)sulfonylindole
CID 118181457
3-(cyclopropylamino)-4-methoxybenzenesulfonamide
CID 103439129
6-bromo-1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonylindole
CID 118181432
2-(5-bromo-2-methoxyphenyl)-N-piperidin-4-ylacetamide;hydrochloride
CID 119387893
N-(2-methoxyphenyl)piperidin-4-amine;hydrochloride
CID 90237422
4-(5-bromo-2-methoxyanilino)cyclohexan-1-ol
CID 106594504
3-fluoro-4-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960633
3,4-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide
CID 62379889

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-bromoindol-1-yl)sulfonyl-2-methoxyphenyl]piperidin-4-amine;hydrochloride?
The IUPAC name of N-[5-(5-bromoindol-1-yl)sulfonyl-2-methoxyphenyl]piperidin-4-amine;hydrochloride (CID 71455435) is N-[5-(5-bromoindol-1-yl)sulfonyl-2-methoxyphenyl]piperidin-4-amine;hydrochloride.
What is the SMILES notation for N-[5-(5-bromoindol-1-yl)sulfonyl-2-methoxyphenyl]piperidin-4-amine;hydrochloride?
The canonical SMILES for N-[5-(5-bromoindol-1-yl)sulfonyl-2-methoxyphenyl]piperidin-4-amine;hydrochloride is COc1ccc(S(=O)(=O)n2ccc3cc(Br)ccc32)cc1NC1CCNCC1.Cl.
What is the InChIKey of N-[5-(5-bromoindol-1-yl)sulfonyl-2-methoxyphenyl]piperidin-4-amine;hydrochloride?
The InChIKey is ZARSGHDEYZOPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN3O3S.ClH/c1-27-20-5-3-17(13-18(20)23-16-6-9-22-10-7-16)28(25,26)24-11-8-14-12-15(21)2-4-19(14)24;/h2-5,8,11-13,16,22-23H,6-7,9-10H2,1H3;1H.
What are the key properties of N-[5-(5-bromoindol-1-yl)sulfonyl-2-methoxyphenyl]piperidin-4-amine;hydrochloride?
N-[5-(5-bromoindol-1-yl)sulfonyl-2-methoxyphenyl]piperidin-4-amine;hydrochloride has a molecular weight of 500.85 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-bromoindol-1-yl)sulfonyl-2-methoxyphenyl]piperidin-4-amine;hydrochloride is sourced from PubChem (CID 71455435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).