5-[1-(benzenesulfonyl)indol-3-yl]-1H-imidazol-2-amine;hydrochloride

C17H15ClN4O2S — CID 155514575

IUPAC5-[1-(benzenesulfonyl)indol-3-yl]-1H-imidazol-2-amine;hydrochloride
SMILESCl.Nc1ncc(-c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)[nH]1
InChIInChI=1S/C17H14N4O2S.ClH/c18-17-19-10-15(20-17)14-11-21(16-9-5-4-8-13(14)16)24(22,23)12-6-2-1-3-7-12;/h1-11H,(H3,18,19,20);1H
InChIKeyPXAIBELDQYOOGF-UHFFFAOYSA-N
MW374.85 g/mol
LogP3.27
Rot. Bonds3

About 5-[1-(benzenesulfonyl)indol-3-yl]-1H-imidazol-2-amine;hydrochloride

5-[1-(benzenesulfonyl)indol-3-yl]-1H-imidazol-2-amine;hydrochloride (PubChem CID 155514575) has the molecular formula C17H15ClN4O2S and a molecular weight of 374.85 g/mol. Its IUPAC name is 5-[1-(benzenesulfonyl)indol-3-yl]-1H-imidazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[1-(benzenesulfonyl)indol-3-yl]-1H-imidazol-2-amine;hydrochloride
PubChem CID155514575
Molecular FormulaC17H15ClN4O2S
Molecular Weight374.85 g/mol
Exact Mass374.06
IUPAC Name5-[1-(benzenesulfonyl)indol-3-yl]-1H-imidazol-2-amine;hydrochloride
SMILESCl.Nc1ncc(-c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)[nH]1
InChIInChI=1S/C17H14N4O2S.ClH/c18-17-19-10-15(20-17)14-11-21(16-9-5-4-8-13(14)16)24(22,23)12-6-2-1-3-7-12;/h1-11H,(H3,18,19,20);1H
InChIKeyPXAIBELDQYOOGF-UHFFFAOYSA-N
XLogP3.27
TPSA93.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

BN-81,644
CID 9802572
3-Imidazol-1-ylmethyl-1H-indole
CID 792486
1H-Purin-6-amine, N-(2-(1H-indol-3-yl)ethyl)-
CID 165348
UK 34787
CID 194468
N-(1H-indol-3-ylmethylideneamino)-1H-benzimidazol-2-amine
CID 2850534
2-(1-Imidazol-1-yl-ethyl)-9H-carbazole
CID 18976091
1H-Indole-3-carboxaldehyde 1H-Benzimidazol-2-ylhydrazone
CID 135451354
N-[2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridin-3-yl]benzenesulphonamide
CID 23652981
3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-[(3-methylsulfonylphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-1H-indole
CID 142471678
N-Cyclopentyl-2-[4-(Trifluoromethyl)phenyl]-3h-Imidazo[4,5-B]pyridine-7-Sulfonamide
CID 91754984
BN-81674
CID 5311378
(3R)-1-cyclohexyl-3-(5-phenyl-1H-imidazol-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 11069321

Frequently Asked Questions

What is the IUPAC name of 5-[1-(benzenesulfonyl)indol-3-yl]-1H-imidazol-2-amine;hydrochloride?
The IUPAC name of 5-[1-(benzenesulfonyl)indol-3-yl]-1H-imidazol-2-amine;hydrochloride (CID 155514575) is 5-[1-(benzenesulfonyl)indol-3-yl]-1H-imidazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[1-(benzenesulfonyl)indol-3-yl]-1H-imidazol-2-amine;hydrochloride?
The canonical SMILES for 5-[1-(benzenesulfonyl)indol-3-yl]-1H-imidazol-2-amine;hydrochloride is Cl.Nc1ncc(-c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)[nH]1.
What is the InChIKey of 5-[1-(benzenesulfonyl)indol-3-yl]-1H-imidazol-2-amine;hydrochloride?
The InChIKey is PXAIBELDQYOOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S.ClH/c18-17-19-10-15(20-17)14-11-21(16-9-5-4-8-13(14)16)24(22,23)12-6-2-1-3-7-12;/h1-11H,(H3,18,19,20);1H.
What are the key properties of 5-[1-(benzenesulfonyl)indol-3-yl]-1H-imidazol-2-amine;hydrochloride?
5-[1-(benzenesulfonyl)indol-3-yl]-1H-imidazol-2-amine;hydrochloride has a molecular weight of 374.85 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(benzenesulfonyl)indol-3-yl]-1H-imidazol-2-amine;hydrochloride is sourced from PubChem (CID 155514575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).