(1R)-2-azido-1-[6-bromo-1-(4-methylphenyl)sulfonylindol-3-yl]ethanol

C17H15BrN4O3S — CID 10884589

IUPAC(1R)-2-azido-1-[6-bromo-1-(4-methylphenyl)sulfonylindol-3-yl]ethanol
SMILESCc1ccc(S(=O)(=O)n2cc([C@@H](O)CN=[N+]=[N-])c3ccc(Br)cc32)cc1
InChIInChI=1S/C17H15BrN4O3S/c1-11-2-5-13(6-3-11)26(24,25)22-10-15(17(23)9-20-21-19)14-7-4-12(18)8-16(14)22/h2-8,10,17,23H,9H2,1H3/t17-/m0/s1
InChIKeyQFAWZBIASODOCW-KRWDZBQOSA-N
MW435.30 g/mol
LogP4.29
Rot. Bonds5

About (1R)-2-azido-1-[6-bromo-1-(4-methylphenyl)sulfonylindol-3-yl]ethanol

(1R)-2-azido-1-[6-bromo-1-(4-methylphenyl)sulfonylindol-3-yl]ethanol (PubChem CID 10884589) has the molecular formula C17H15BrN4O3S and a molecular weight of 435.30 g/mol. Its IUPAC name is (1R)-2-azido-1-[6-bromo-1-(4-methylphenyl)sulfonylindol-3-yl]ethanol.

Molecular Properties

Compound Name(1R)-2-azido-1-[6-bromo-1-(4-methylphenyl)sulfonylindol-3-yl]ethanol
PubChem CID10884589
Molecular FormulaC17H15BrN4O3S
Molecular Weight435.30 g/mol
Exact Mass434.00
IUPAC Name(1R)-2-azido-1-[6-bromo-1-(4-methylphenyl)sulfonylindol-3-yl]ethanol
SMILESCc1ccc(S(=O)(=O)n2cc([C@@H](O)CN=[N+]=[N-])c3ccc(Br)cc32)cc1
InChIInChI=1S/C17H15BrN4O3S/c1-11-2-5-13(6-3-11)26(24,25)22-10-15(17(23)9-20-21-19)14-7-4-12(18)8-16(14)22/h2-8,10,17,23H,9H2,1H3/t17-/m0/s1
InChIKeyQFAWZBIASODOCW-KRWDZBQOSA-N
XLogP4.29
TPSA108.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.30
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-azido-2-[6-bromo-1-(4-methylphenyl)sulfonylindol-3-yl]ethanamine
CID 162405532
tert-butyl N-[(2S)-2-azido-2-[6-bromo-1-(4-methylphenyl)sulfonylindol-3-yl]ethyl]carbamate
CID 10984316
[(2R)-2-[6-bromo-1-(4-methylphenyl)sulfonylindol-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] 4-methylbenzenesulfonate
CID 11125206
6-bromo-1-(4-methylphenyl)sulfonyl-3-[4-(trifluoromethyl)-2-pyridinyl]indole
CID 101101781
5-bromo-3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylindole
CID 132573373
5-bromo-1-(4-methylphenyl)sulfonylindole
CID 11954618
5-bromo-1-(4-methylphenyl)sulfonyl-3-pyrimidin-5-ylindole
CID 10002663
6-bromo-3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridine
CID 144813630
6-bromo-3-ethyl-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridine
CID 123815720
3,8-dibromo-5,10-bis-(4-methylphenyl)sulfonylindolo[3,2-b]indole
CID 139048804
methyl 2-amino-2-[1-(4-methylphenyl)sulfonylindol-3-yl]acetate
CID 134818170
2-azido-1-(2-bromophenyl)ethanol
CID 57429240

Frequently Asked Questions

What is the IUPAC name of (1R)-2-azido-1-[6-bromo-1-(4-methylphenyl)sulfonylindol-3-yl]ethanol?
The IUPAC name of (1R)-2-azido-1-[6-bromo-1-(4-methylphenyl)sulfonylindol-3-yl]ethanol (CID 10884589) is (1R)-2-azido-1-[6-bromo-1-(4-methylphenyl)sulfonylindol-3-yl]ethanol.
What is the SMILES notation for (1R)-2-azido-1-[6-bromo-1-(4-methylphenyl)sulfonylindol-3-yl]ethanol?
The canonical SMILES for (1R)-2-azido-1-[6-bromo-1-(4-methylphenyl)sulfonylindol-3-yl]ethanol is Cc1ccc(S(=O)(=O)n2cc([C@@H](O)CN=[N+]=[N-])c3ccc(Br)cc32)cc1.
What is the InChIKey of (1R)-2-azido-1-[6-bromo-1-(4-methylphenyl)sulfonylindol-3-yl]ethanol?
The InChIKey is QFAWZBIASODOCW-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H15BrN4O3S/c1-11-2-5-13(6-3-11)26(24,25)22-10-15(17(23)9-20-21-19)14-7-4-12(18)8-16(14)22/h2-8,10,17,23H,9H2,1H3/t17-/m0/s1.
What are the key properties of (1R)-2-azido-1-[6-bromo-1-(4-methylphenyl)sulfonylindol-3-yl]ethanol?
(1R)-2-azido-1-[6-bromo-1-(4-methylphenyl)sulfonylindol-3-yl]ethanol has a molecular weight of 435.30 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-azido-1-[6-bromo-1-(4-methylphenyl)sulfonylindol-3-yl]ethanol is sourced from PubChem (CID 10884589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).