2-amino-3-[1-(benzenesulfonyl)indol-3-yl]propan-1-ol;hydrochloride

C17H19ClN2O3S — CID 170893359

IUPAC2-amino-3-[1-(benzenesulfonyl)indol-3-yl]propan-1-ol;hydrochloride
SMILESCl.NC(CO)Cc1cn(S(=O)(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C17H18N2O3S.ClH/c18-14(12-20)10-13-11-19(17-9-5-4-8-16(13)17)23(21,22)15-6-2-1-3-7-15;/h1-9,11,14,20H,10,12,18H2;1H
InChIKeyRBGHGCDWGVWTMX-UHFFFAOYSA-N
MW366.87 g/mol
LogP2.16
Rot. Bonds5

About 2-amino-3-[1-(benzenesulfonyl)indol-3-yl]propan-1-ol;hydrochloride

2-amino-3-[1-(benzenesulfonyl)indol-3-yl]propan-1-ol;hydrochloride (PubChem CID 170893359) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 2-amino-3-[1-(benzenesulfonyl)indol-3-yl]propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-3-[1-(benzenesulfonyl)indol-3-yl]propan-1-ol;hydrochloride
PubChem CID170893359
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name2-amino-3-[1-(benzenesulfonyl)indol-3-yl]propan-1-ol;hydrochloride
SMILESCl.NC(CO)Cc1cn(S(=O)(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C17H18N2O3S.ClH/c18-14(12-20)10-13-11-19(17-9-5-4-8-16(13)17)23(21,22)15-6-2-1-3-7-15;/h1-9,11,14,20H,10,12,18H2;1H
InChIKeyRBGHGCDWGVWTMX-UHFFFAOYSA-N
XLogP2.16
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-3-benzylindole
CID 86142945
1-(benzenesulfonyl)indol-3-amine
CID 142808384
3-(benzenesulfinylmethyl)-1-(benzenesulfonyl)indole
CID 86057448
[1-(benzenesulfonyl)-5-bromoindol-3-yl]methanol
CID 66852224
4-[1-(benzenesulfonyl)indol-3-yl]-2-methylbut-2-enal
CID 90046192
N-[[1-(benzenesulfonyl)indol-3-yl]methyl]-N-methyl-1-phenylmethanamine
CID 71694981
1-(benzenesulfonyl)-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 10317027
[1-(benzenesulfonyl)indol-4-yl]methanamine;hydrochloride
CID 68718223
methyl N-[(1R)-2-[1-(4-methylphenyl)sulfonylindol-3-yl]-1-phenylselanylethyl]carbamate
CID 139089639
methyl (2S)-2-(methoxycarbonylamino)-3-[1-(4-methoxyphenyl)sulfonylindol-3-yl]propanoate
CID 11797628
1-(benzenesulfonyl)indole-3-carboxylate
CID 6932015
1-[1-(benzenesulfonyl)indol-3-yl]-2,2-dibromoethanone
CID 165354789

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[1-(benzenesulfonyl)indol-3-yl]propan-1-ol;hydrochloride?
The IUPAC name of 2-amino-3-[1-(benzenesulfonyl)indol-3-yl]propan-1-ol;hydrochloride (CID 170893359) is 2-amino-3-[1-(benzenesulfonyl)indol-3-yl]propan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-3-[1-(benzenesulfonyl)indol-3-yl]propan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-3-[1-(benzenesulfonyl)indol-3-yl]propan-1-ol;hydrochloride is Cl.NC(CO)Cc1cn(S(=O)(=O)c2ccccc2)c2ccccc12.
What is the InChIKey of 2-amino-3-[1-(benzenesulfonyl)indol-3-yl]propan-1-ol;hydrochloride?
The InChIKey is RBGHGCDWGVWTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S.ClH/c18-14(12-20)10-13-11-19(17-9-5-4-8-16(13)17)23(21,22)15-6-2-1-3-7-15;/h1-9,11,14,20H,10,12,18H2;1H.
What are the key properties of 2-amino-3-[1-(benzenesulfonyl)indol-3-yl]propan-1-ol;hydrochloride?
2-amino-3-[1-(benzenesulfonyl)indol-3-yl]propan-1-ol;hydrochloride has a molecular weight of 366.87 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[1-(benzenesulfonyl)indol-3-yl]propan-1-ol;hydrochloride is sourced from PubChem (CID 170893359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).