N-(3-chloro-1H-indol-7-yl)benzenesulfinamide

C14H11ClN2OS — CID 156886329

IUPACN-(3-chloro-1H-indol-7-yl)benzenesulfinamide
SMILESO=S(Nc1cccc2c(Cl)c[nH]c12)c1ccccc1
InChIInChI=1S/C14H11ClN2OS/c15-12-9-16-14-11(12)7-4-8-13(14)17-19(18)10-5-2-1-3-6-10/h1-9,16-17H
InChIKeyIOLWWNXZNBIOSU-UHFFFAOYSA-N
MW290.78 g/mol
LogP3.96
Rot. Bonds3

About N-(3-chloro-1H-indol-7-yl)benzenesulfinamide

N-(3-chloro-1H-indol-7-yl)benzenesulfinamide (PubChem CID 156886329) has the molecular formula C14H11ClN2OS and a molecular weight of 290.78 g/mol. Its IUPAC name is N-(3-chloro-1H-indol-7-yl)benzenesulfinamide.

Molecular Properties

Compound NameN-(3-chloro-1H-indol-7-yl)benzenesulfinamide
PubChem CID156886329
Molecular FormulaC14H11ClN2OS
Molecular Weight290.78 g/mol
Exact Mass290.03
IUPAC NameN-(3-chloro-1H-indol-7-yl)benzenesulfinamide
SMILESO=S(Nc1cccc2c(Cl)c[nH]c12)c1ccccc1
InChIInChI=1S/C14H11ClN2OS/c15-12-9-16-14-11(12)7-4-8-13(14)17-19(18)10-5-2-1-3-6-10/h1-9,16-17H
InChIKeyIOLWWNXZNBIOSU-UHFFFAOYSA-N
XLogP3.96
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.78
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-chloro-5-methoxy-1H-indol-7-yl)-3-cyanobenzenesulfinamide
CID 164863466
4-amino-N-(3-chloro-1H-indol-7-yl)benzenesulfonamide
CID 10268048
N-(3-chloro-1H-indol-7-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 22228579
3-chloro-7-[[4-(sulfamoylamino)phenyl]sulfamoylamino]-1H-indole
CID 67079891
4-N-(3,4-dichloro-1H-indol-7-yl)-1-N-piperidin-4-ylbenzene-1,4-disulfinamide
CID 164863730
4-[(3-chloro-1H-indol-7-yl)amino]sulfanylbenzenesulfonamide
CID 169181732
1-(3-chloro-1H-indol-7-yl)-3-cyanothiourea
CID 25158428
N-(3-chloro-1H-indol-7-yl)-1,2-thiazole-4-sulfonamide
CID 171055487
4-aminosulfanyl-N-(3-chloro-1H-indol-7-yl)benzenesulfonamide
CID 147916945
N-(3-chloro-1H-indol-7-yl)-4-methoxybenzenesulfonamide
CID 10246436
N-(3,4-dichloro-1H-indol-7-yl)-4-(1-formylpiperidin-4-yl)sulfinylbenzenesulfinamide
CID 167242226
3-chloro-7-[2-[4-(sulfinatoamino)phenyl]ethyl]-1H-indole
CID 58459669

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-1H-indol-7-yl)benzenesulfinamide?
The IUPAC name of N-(3-chloro-1H-indol-7-yl)benzenesulfinamide (CID 156886329) is N-(3-chloro-1H-indol-7-yl)benzenesulfinamide.
What is the SMILES notation for N-(3-chloro-1H-indol-7-yl)benzenesulfinamide?
The canonical SMILES for N-(3-chloro-1H-indol-7-yl)benzenesulfinamide is O=S(Nc1cccc2c(Cl)c[nH]c12)c1ccccc1.
What is the InChIKey of N-(3-chloro-1H-indol-7-yl)benzenesulfinamide?
The InChIKey is IOLWWNXZNBIOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2OS/c15-12-9-16-14-11(12)7-4-8-13(14)17-19(18)10-5-2-1-3-6-10/h1-9,16-17H.
What are the key properties of N-(3-chloro-1H-indol-7-yl)benzenesulfinamide?
N-(3-chloro-1H-indol-7-yl)benzenesulfinamide has a molecular weight of 290.78 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-1H-indol-7-yl)benzenesulfinamide is sourced from PubChem (CID 156886329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).