3-phenyl-5-(sulfinoamino)-1H-indole

C14H12N2O2S — CID 123162059

IUPAC3-phenyl-5-(sulfinoamino)-1H-indole
SMILESO=S(O)Nc1ccc2[nH]cc(-c3ccccc3)c2c1
InChIInChI=1S/C14H12N2O2S/c17-19(18)16-11-6-7-14-12(8-11)13(9-15-14)10-4-2-1-3-5-10/h1-9,15-16H,(H,17,18)
InChIKeyUADZFDNGYNLMKD-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.38
Rot. Bonds3

About 3-phenyl-5-(sulfinoamino)-1H-indole

3-phenyl-5-(sulfinoamino)-1H-indole (PubChem CID 123162059) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-phenyl-5-(sulfinoamino)-1H-indole.

Molecular Properties

Compound Name3-phenyl-5-(sulfinoamino)-1H-indole
PubChem CID123162059
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name3-phenyl-5-(sulfinoamino)-1H-indole
SMILESO=S(O)Nc1ccc2[nH]cc(-c3ccccc3)c2c1
InChIInChI=1S/C14H12N2O2S/c17-19(18)16-11-6-7-14-12(8-11)13(9-15-14)10-4-2-1-3-5-10/h1-9,15-16H,(H,17,18)
InChIKeyUADZFDNGYNLMKD-UHFFFAOYSA-N
XLogP3.38
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methane;3-phenyl-1H-indole
CID 167711687
1-(1,3-benzodioxol-5-yl)-N-(3-phenyl-1H-indol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen
CID 159372797
3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
4-(1H-indol-3-yl)-N-phenylbenzamide
CID 146637660
methyl N-[4-(5-hydroxy-1H-indol-3-yl)anilino]carbamate
CID 155908069
3-(3-methylphenyl)-1H-indole-5-carboxylic acid
CID 171776998
5-chloro-3-phenyl-1H-pyrrolo[2,3-c]pyridine
CID 11481594
3-[3-(2-hydroxyethyl)phenyl]-1H-indole-5-carboxylic acid
CID 167871614
2-cyclopentyl-4-(5-phenyl-1H-indol-3-yl)benzoic acid
CID 53316137
6-(sulfinoamino)-2-(trifluoromethyl)-9H-carbazole
CID 68927625
methyl 5-cyclopropyl-2-[(3-phenyl-1H-indol-5-yl)methyl]benzoate
CID 160691384
N-[3-[4-(cyclohexanecarbonylamino)phenyl]-1H-indol-5-yl]-3-methylcyclohexane-1-carboxamide
CID 59715098

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(sulfinoamino)-1H-indole?
The IUPAC name of 3-phenyl-5-(sulfinoamino)-1H-indole (CID 123162059) is 3-phenyl-5-(sulfinoamino)-1H-indole.
What is the SMILES notation for 3-phenyl-5-(sulfinoamino)-1H-indole?
The canonical SMILES for 3-phenyl-5-(sulfinoamino)-1H-indole is O=S(O)Nc1ccc2[nH]cc(-c3ccccc3)c2c1.
What is the InChIKey of 3-phenyl-5-(sulfinoamino)-1H-indole?
The InChIKey is UADZFDNGYNLMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c17-19(18)16-11-6-7-14-12(8-11)13(9-15-14)10-4-2-1-3-5-10/h1-9,15-16H,(H,17,18).
What are the key properties of 3-phenyl-5-(sulfinoamino)-1H-indole?
3-phenyl-5-(sulfinoamino)-1H-indole has a molecular weight of 272.33 g/mol, XLogP of 3.38, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(sulfinoamino)-1H-indole is sourced from PubChem (CID 123162059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).