2-amino-3-(1H-indol-2-ylsulfanyl)benzenesulfonamide

C14H13N3O2S2 — CID 115993142

IUPAC2-amino-3-(1H-indol-2-ylsulfanyl)benzenesulfonamide
SMILESNc1c(Sc2cc3ccccc3[nH]2)cccc1S(N)(=O)=O
InChIInChI=1S/C14H13N3O2S2/c15-14-11(6-3-7-12(14)21(16,18)19)20-13-8-9-4-1-2-5-10(9)17-13/h1-8,17H,15H2,(H2,16,18,19)
InChIKeyWGYVNISOEJJWRS-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.55
Rot. Bonds3

About 2-amino-3-(1H-indol-2-ylsulfanyl)benzenesulfonamide

2-amino-3-(1H-indol-2-ylsulfanyl)benzenesulfonamide (PubChem CID 115993142) has the molecular formula C14H13N3O2S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-amino-3-(1H-indol-2-ylsulfanyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-(1H-indol-2-ylsulfanyl)benzenesulfonamide
PubChem CID115993142
Molecular FormulaC14H13N3O2S2
Molecular Weight319.41 g/mol
Exact Mass319.04
IUPAC Name2-amino-3-(1H-indol-2-ylsulfanyl)benzenesulfonamide
SMILESNc1c(Sc2cc3ccccc3[nH]2)cccc1S(N)(=O)=O
InChIInChI=1S/C14H13N3O2S2/c15-14-11(6-3-7-12(14)21(16,18)19)20-13-8-9-4-1-2-5-10(9)17-13/h1-8,17H,15H2,(H2,16,18,19)
InChIKeyWGYVNISOEJJWRS-UHFFFAOYSA-N
XLogP2.55
TPSA101.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1H-Indole, 2-[(phenylsulfinyl)methyl]-3-(phenylthio)-
CID 454845
4-(1~{H}-indol-2-yl)benzenesulfonamide
CID 127029020
4-(3-phenyl-1H-indol-2-yl)benzenesulfonamide
CID 10236948
2-(4-(methylsulfonyl)phenyl)-3-phenyl-1H-indole
CID 11725257
benzyl 1H-indol-2-yl sulfide
CID 1811376
1H-Indole, 2-(phenylthio)-
CID 821198
Cyclobrassinin sulfoxide
CID 14585498
2-Phenyl-1H-indol-3-yl thiocyanate
CID 12398993
1H-Indole-2-sulfonamide
CID 14256301
3-(4-Fluoro-phenylsulfanyl)-6-methanesulfonyl-2-methyl-1H-indole
CID 22034364
3-(2,4-Difluoro-phenylsulfanyl)-6-methanesulfonyl-2-methyl-1H-indole
CID 22034374
N-[(4-thiophen-3-ylphenyl)methyl]-1H-indole-2-sulfonamide
CID 66546713

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1H-indol-2-ylsulfanyl)benzenesulfonamide?
The IUPAC name of 2-amino-3-(1H-indol-2-ylsulfanyl)benzenesulfonamide (CID 115993142) is 2-amino-3-(1H-indol-2-ylsulfanyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-3-(1H-indol-2-ylsulfanyl)benzenesulfonamide?
The canonical SMILES for 2-amino-3-(1H-indol-2-ylsulfanyl)benzenesulfonamide is Nc1c(Sc2cc3ccccc3[nH]2)cccc1S(N)(=O)=O.
What is the InChIKey of 2-amino-3-(1H-indol-2-ylsulfanyl)benzenesulfonamide?
The InChIKey is WGYVNISOEJJWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S2/c15-14-11(6-3-7-12(14)21(16,18)19)20-13-8-9-4-1-2-5-10(9)17-13/h1-8,17H,15H2,(H2,16,18,19).
What are the key properties of 2-amino-3-(1H-indol-2-ylsulfanyl)benzenesulfonamide?
2-amino-3-(1H-indol-2-ylsulfanyl)benzenesulfonamide has a molecular weight of 319.41 g/mol, XLogP of 2.55, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1H-indol-2-ylsulfanyl)benzenesulfonamide is sourced from PubChem (CID 115993142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).