N-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-sulfonamide;methane;methyl 3-aminobenzoate;methyl 3-(thiophen-2-ylsulfonylamino)benzoate;pyridine-2,3-diamine;thiophene-2-sulfonyl chloride;3-(thiophen-2-ylsulfonylamino)benzoic acid

C58H59ClN10O14S8 — CID 159504470

IUPACN-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-sulfonamide;methane;methyl 3-aminobenzoate;methyl 3-(thiophen-2-ylsulfonylamino)benzoate;pyridine-2,3-diamine;thiophene-2-sulfonyl chloride;3-(thiophen-2-ylsulfonylamino)benzoic acid
SMILESC.C.COC(=O)c1cccc(N)c1.COC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1.Nc1cccnc1N.O=C(O)c1cccc(NS(=O)(=O)c2cccs2)c1.O=S(=O)(Cl)c1cccs1.O=S(=O)(Nc1cccc(-c2nc3ncccc3[nH]2)c1)c1cccs1
InChIInChI=1S/C16H12N4O2S2.C12H11NO4S2.C11H9NO4S2.C8H9NO2.C5H7N3.C4H3ClO2S2.2CH4/c21-24(22,14-7-3-9-23-14)20-12-5-1-4-11(10-12)15-18-13-6-2-8-17-16(13)19-15;1-17-12(14)9-4-2-5-10(8-9)13-19(15,16)11-6-3-7-18-11;13-11(14)8-3-1-4-9(7-8)12-18(15,16)10-5-2-6-17-10;1-11-8(10)6-3-2-4-7(9)5-6;6-4-2-1-3-8-5(4)7;5-9(6,7)4-2-1-3-8-4;;/h1-10,20H,(H,17,18,19);2-8,13H,1H3;1-7,12H,(H,13,14);2-5H,9H2,1H3;1-3H,6H2,(H2,7,8);1-3H;2*1H4
InChIKeyLZUOXGVGSXUYEM-UHFFFAOYSA-N
MW1412.15 g/mol
LogP12.32
Rot. Bonds14

About N-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-sulfonamide;methane;methyl 3-aminobenzoate;methyl 3-(thiophen-2-ylsulfonylamino)benzoate;pyridine-2,3-diamine;thiophene-2-sulfonyl chloride;3-(thiophen-2-ylsulfonylamino)benzoic acid

N-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-sulfonamide;methane;methyl 3-aminobenzoate;methyl 3-(thiophen-2-ylsulfonylamino)benzoate;pyridine-2,3-diamine;thiophene-2-sulfonyl chloride;3-(thiophen-2-ylsulfonylamino)benzoic acid (PubChem CID 159504470) has the molecular formula C58H59ClN10O14S8 and a molecular weight of 1412.15 g/mol. Its IUPAC name is N-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-sulfonamide;methane;methyl 3-aminobenzoate;methyl 3-(thiophen-2-ylsulfonylamino)benzoate;pyridine-2,3-diamine;thiophene-2-sulfonyl chloride;3-(thiophen-2-ylsulfonylamino)benzoic acid.

Molecular Properties

Compound NameN-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-sulfonamide;methane;methyl 3-aminobenzoate;methyl 3-(thiophen-2-ylsulfonylamino)benzoate;pyridine-2,3-diamine;thiophene-2-sulfonyl chloride;3-(thiophen-2-ylsulfonylamino)benzoic acid
PubChem CID159504470
Molecular FormulaC58H59ClN10O14S8
Molecular Weight1412.15 g/mol
Exact Mass1410.17
IUPAC NameN-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-sulfonamide;methane;methyl 3-aminobenzoate;methyl 3-(thiophen-2-ylsulfonylamino)benzoate;pyridine-2,3-diamine;thiophene-2-sulfonyl chloride;3-(thiophen-2-ylsulfonylamino)benzoic acid
SMILESC.C.COC(=O)c1cccc(N)c1.COC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1.Nc1cccnc1N.O=C(O)c1cccc(NS(=O)(=O)c2cccs2)c1.O=S(=O)(Cl)c1cccs1.O=S(=O)(Nc1cccc(-c2nc3ncccc3[nH]2)c1)c1cccs1
InChIInChI=1S/C16H12N4O2S2.C12H11NO4S2.C11H9NO4S2.C8H9NO2.C5H7N3.C4H3ClO2S2.2CH4/c21-24(22,14-7-3-9-23-14)20-12-5-1-4-11(10-12)15-18-13-6-2-8-17-16(13)19-15;1-17-12(14)9-4-2-5-10(8-9)13-19(15,16)11-6-3-7-18-11;13-11(14)8-3-1-4-9(7-8)12-18(15,16)10-5-2-6-17-10;1-11-8(10)6-3-2-4-7(9)5-6;6-4-2-1-3-8-5(4)7;5-9(6,7)4-2-1-3-8-4;;/h1-10,20H,(H,17,18,19);2-8,13H,1H3;1-7,12H,(H,13,14);2-5H,9H2,1H3;1-3H,6H2,(H2,7,8);1-3H;2*1H4
InChIKeyLZUOXGVGSXUYEM-UHFFFAOYSA-N
XLogP12.32
TPSA395.07 Ų
H-Bond Donors8
H-Bond Acceptors23
Rotatable Bonds14
Heavy Atoms91
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001412.15
LogP ≤ 512.32
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze N-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-sulfonamide;methane;methyl 3-aminobenzoate;methyl 3-(thiophen-2-ylsulfonylamino)benzoate;pyridine-2,3-diamine;thiophene-2-sulfonyl chloride;3-(thiophen-2-ylsulfonylamino)benzoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-sulfonamide;methane;methyl 3-aminobenzoate;methyl 3-(thiophen-2-ylsulfonylamino)benzoate;pyridine-2,3-diamine;thiophene-2-sulfonyl chloride;3-(thiophen-2-ylsulfonylamino)benzoic acid?
The IUPAC name of N-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-sulfonamide;methane;methyl 3-aminobenzoate;methyl 3-(thiophen-2-ylsulfonylamino)benzoate;pyridine-2,3-diamine;thiophene-2-sulfonyl chloride;3-(thiophen-2-ylsulfonylamino)benzoic acid (CID 159504470) is N-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-sulfonamide;methane;methyl 3-aminobenzoate;methyl 3-(thiophen-2-ylsulfonylamino)benzoate;pyridine-2,3-diamine;thiophene-2-sulfonyl chloride;3-(thiophen-2-ylsulfonylamino)benzoic acid.
What is the SMILES notation for N-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-sulfonamide;methane;methyl 3-aminobenzoate;methyl 3-(thiophen-2-ylsulfonylamino)benzoate;pyridine-2,3-diamine;thiophene-2-sulfonyl chloride;3-(thiophen-2-ylsulfonylamino)benzoic acid?
The canonical SMILES for N-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-sulfonamide;methane;methyl 3-aminobenzoate;methyl 3-(thiophen-2-ylsulfonylamino)benzoate;pyridine-2,3-diamine;thiophene-2-sulfonyl chloride;3-(thiophen-2-ylsulfonylamino)benzoic acid is C.C.COC(=O)c1cccc(N)c1.COC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1.Nc1cccnc1N.O=C(O)c1cccc(NS(=O)(=O)c2cccs2)c1.O=S(=O)(Cl)c1cccs1.O=S(=O)(Nc1cccc(-c2nc3ncccc3[nH]2)c1)c1cccs1.
What is the InChIKey of N-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-sulfonamide;methane;methyl 3-aminobenzoate;methyl 3-(thiophen-2-ylsulfonylamino)benzoate;pyridine-2,3-diamine;thiophene-2-sulfonyl chloride;3-(thiophen-2-ylsulfonylamino)benzoic acid?
The InChIKey is LZUOXGVGSXUYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2S2.C12H11NO4S2.C11H9NO4S2.C8H9NO2.C5H7N3.C4H3ClO2S2.2CH4/c21-24(22,14-7-3-9-23-14)20-12-5-1-4-11(10-12)15-18-13-6-2-8-17-16(13)19-15;1-17-12(14)9-4-2-5-10(8-9)13-19(15,16)11-6-3-7-18-11;13-11(14)8-3-1-4-9(7-8)12-18(15,16)10-5-2-6-17-10;1-11-8(10)6-3-2-4-7(9)5-6;6-4-2-1-3-8-5(4)7;5-9(6,7)4-2-1-3-8-4;;/h1-10,20H,(H,17,18,19);2-8,13H,1H3;1-7,12H,(H,13,14);2-5H,9H2,1H3;1-3H,6H2,(H2,7,8);1-3H;2*1H4.
What are the key properties of N-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-sulfonamide;methane;methyl 3-aminobenzoate;methyl 3-(thiophen-2-ylsulfonylamino)benzoate;pyridine-2,3-diamine;thiophene-2-sulfonyl chloride;3-(thiophen-2-ylsulfonylamino)benzoic acid?
N-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-sulfonamide;methane;methyl 3-aminobenzoate;methyl 3-(thiophen-2-ylsulfonylamino)benzoate;pyridine-2,3-diamine;thiophene-2-sulfonyl chloride;3-(thiophen-2-ylsulfonylamino)benzoic acid has a molecular weight of 1412.15 g/mol, XLogP of 12.32, 14 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-sulfonamide;methane;methyl 3-aminobenzoate;methyl 3-(thiophen-2-ylsulfonylamino)benzoate;pyridine-2,3-diamine;thiophene-2-sulfonyl chloride;3-(thiophen-2-ylsulfonylamino)benzoic acid is sourced from PubChem (CID 159504470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).