4-(1H-indol-7-ylmethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide

C18H16N4O2S2 — CID 70701424

IUPAC4-(1H-indol-7-ylmethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1ccc(NCc2cccc3cc[nH]c23)cc1
InChIInChI=1S/C18H16N4O2S2/c23-26(24,22-18-20-10-11-25-18)16-6-4-15(5-7-16)21-12-14-3-1-2-13-8-9-19-17(13)14/h1-11,19,21H,12H2,(H,20,22)
InChIKeyQQQHALYEHUNHEX-UHFFFAOYSA-N
MW384.49 g/mol
LogP4.04
Rot. Bonds6

About 4-(1H-indol-7-ylmethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-(1H-indol-7-ylmethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 70701424) has the molecular formula C18H16N4O2S2 and a molecular weight of 384.49 g/mol. Its IUPAC name is 4-(1H-indol-7-ylmethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(1H-indol-7-ylmethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID70701424
Molecular FormulaC18H16N4O2S2
Molecular Weight384.49 g/mol
Exact Mass384.07
IUPAC Name4-(1H-indol-7-ylmethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1ccc(NCc2cccc3cc[nH]c23)cc1
InChIInChI=1S/C18H16N4O2S2/c23-26(24,22-18-20-10-11-25-18)16-6-4-15(5-7-16)21-12-14-3-1-2-13-8-9-19-17(13)14/h1-11,19,21H,12H2,(H,20,22)
InChIKeyQQQHALYEHUNHEX-UHFFFAOYSA-N
XLogP4.04
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-7-ylmethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-(1H-indol-7-ylmethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 70701424) is 4-(1H-indol-7-ylmethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(1H-indol-7-ylmethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(1H-indol-7-ylmethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nccs1)c1ccc(NCc2cccc3cc[nH]c23)cc1.
What is the InChIKey of 4-(1H-indol-7-ylmethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is QQQHALYEHUNHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S2/c23-26(24,22-18-20-10-11-25-18)16-6-4-15(5-7-16)21-12-14-3-1-2-13-8-9-19-17(13)14/h1-11,19,21H,12H2,(H,20,22).
What are the key properties of 4-(1H-indol-7-ylmethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-(1H-indol-7-ylmethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 384.49 g/mol, XLogP of 4.04, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-7-ylmethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 70701424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).