N-(4-aminocyclohexyl)-4-(aminomethyl)benzenesulfonamide;furo[2,3-c]pyridine-2-carboxylic acid;(4-piperazin-1-ylsulfonylphenyl)methanamine;1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid;thieno[2,3-c]pyridine-2-carboxylic acid

C47H53N11O11S3 — CID 172702626

IUPACN-(4-aminocyclohexyl)-4-(aminomethyl)benzenesulfonamide;furo[2,3-c]pyridine-2-carboxylic acid;(4-piperazin-1-ylsulfonylphenyl)methanamine;1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid;thieno[2,3-c]pyridine-2-carboxylic acid
SMILESNCc1ccc(S(=O)(=O)N2CCNCC2)cc1.NCc1ccc(S(=O)(=O)NC2CCC(N)CC2)cc1.O=C(O)c1cc2ccncc2o1.O=C(O)c1cc2ccncc2s1.O=C(O)c1cnc2[nH]ncc2c1
InChIInChI=1S/C13H21N3O2S.C11H17N3O2S.C8H5NO3.C8H5NO2S.C7H5N3O2/c14-9-10-1-7-13(8-2-10)19(17,18)16-12-5-3-11(15)4-6-12;12-9-10-1-3-11(4-2-10)17(15,16)14-7-5-13-6-8-14;2*10-8(11)6-3-5-1-2-9-4-7(5)12-6;11-7(12)5-1-4-3-9-10-6(4)8-2-5/h1-2,7-8,11-12,16H,3-6,9,14-15H2;1-4,13H,5-9,12H2;2*1-4H,(H,10,11);1-3H,(H,11,12)(H,8,9,10)
InChIKeyDDYXDPZQJSVUQI-UHFFFAOYSA-N
MW1044.21 g/mol
LogP4.61
Rot. Bonds10

About N-(4-aminocyclohexyl)-4-(aminomethyl)benzenesulfonamide;furo[2,3-c]pyridine-2-carboxylic acid;(4-piperazin-1-ylsulfonylphenyl)methanamine;1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid;thieno[2,3-c]pyridine-2-carboxylic acid

N-(4-aminocyclohexyl)-4-(aminomethyl)benzenesulfonamide;furo[2,3-c]pyridine-2-carboxylic acid;(4-piperazin-1-ylsulfonylphenyl)methanamine;1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid;thieno[2,3-c]pyridine-2-carboxylic acid (PubChem CID 172702626) has the molecular formula C47H53N11O11S3 and a molecular weight of 1044.21 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-4-(aminomethyl)benzenesulfonamide;furo[2,3-c]pyridine-2-carboxylic acid;(4-piperazin-1-ylsulfonylphenyl)methanamine;1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid;thieno[2,3-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-4-(aminomethyl)benzenesulfonamide;furo[2,3-c]pyridine-2-carboxylic acid;(4-piperazin-1-ylsulfonylphenyl)methanamine;1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid;thieno[2,3-c]pyridine-2-carboxylic acid
PubChem CID172702626
Molecular FormulaC47H53N11O11S3
Molecular Weight1044.21 g/mol
Exact Mass1043.31
IUPAC NameN-(4-aminocyclohexyl)-4-(aminomethyl)benzenesulfonamide;furo[2,3-c]pyridine-2-carboxylic acid;(4-piperazin-1-ylsulfonylphenyl)methanamine;1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid;thieno[2,3-c]pyridine-2-carboxylic acid
SMILESNCc1ccc(S(=O)(=O)N2CCNCC2)cc1.NCc1ccc(S(=O)(=O)NC2CCC(N)CC2)cc1.O=C(O)c1cc2ccncc2o1.O=C(O)c1cc2ccncc2s1.O=C(O)c1cnc2[nH]ncc2c1
InChIInChI=1S/C13H21N3O2S.C11H17N3O2S.C8H5NO3.C8H5NO2S.C7H5N3O2/c14-9-10-1-7-13(8-2-10)19(17,18)16-12-5-3-11(15)4-6-12;12-9-10-1-3-11(4-2-10)17(15,16)14-7-5-13-6-8-14;2*10-8(11)6-3-5-1-2-9-4-7(5)12-6;11-7(12)5-1-4-3-9-10-6(4)8-2-5/h1-2,7-8,11-12,16H,3-6,9,14-15H2;1-4,13H,5-9,12H2;2*1-4H,(H,10,11);1-3H,(H,11,12)(H,8,9,10)
InChIKeyDDYXDPZQJSVUQI-UHFFFAOYSA-N
XLogP4.61
TPSA366.03 Ų
H-Bond Donors9
H-Bond Acceptors17
Rotatable Bonds10
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001044.21
LogP ≤ 54.61
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1017

Analyze N-(4-aminocyclohexyl)-4-(aminomethyl)benzenesulfonamide;furo[2,3-c]pyridine-2-carboxylic acid;(4-piperazin-1-ylsulfonylphenyl)methanamine;1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid;thieno[2,3-c]pyridine-2-carboxylic acid with MolForge

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Related Compounds

N-[[4-[[6-[2-[3-fluoro-4-[[4-[(1H-pyrazolo[3,4-b]pyridine-5-carbonylamino)methyl]phenyl]sulfonylamino]piperidin-1-yl]ethylamino]-3-pyridinyl]-methylidene-oxo-lambda6-sulfanyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 123296397
N-[[4-(1-methylpyrazol-4-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[(4-phenoxathiin-4-ylsulfonylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 157435570
N-[[4-[(4-aminocyclohexyl)sulfamoyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;furo[2,3-c]pyridine-2-carboxylic acid;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 158322045
N-[[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[(4-pyridin-3-ylsulfonylphenyl)methyl]furo[2,3-c]pyridine-2-carboxamide
CID 159681765

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-4-(aminomethyl)benzenesulfonamide;furo[2,3-c]pyridine-2-carboxylic acid;(4-piperazin-1-ylsulfonylphenyl)methanamine;1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid;thieno[2,3-c]pyridine-2-carboxylic acid?
The IUPAC name of N-(4-aminocyclohexyl)-4-(aminomethyl)benzenesulfonamide;furo[2,3-c]pyridine-2-carboxylic acid;(4-piperazin-1-ylsulfonylphenyl)methanamine;1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid;thieno[2,3-c]pyridine-2-carboxylic acid (CID 172702626) is N-(4-aminocyclohexyl)-4-(aminomethyl)benzenesulfonamide;furo[2,3-c]pyridine-2-carboxylic acid;(4-piperazin-1-ylsulfonylphenyl)methanamine;1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid;thieno[2,3-c]pyridine-2-carboxylic acid.
What is the SMILES notation for N-(4-aminocyclohexyl)-4-(aminomethyl)benzenesulfonamide;furo[2,3-c]pyridine-2-carboxylic acid;(4-piperazin-1-ylsulfonylphenyl)methanamine;1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid;thieno[2,3-c]pyridine-2-carboxylic acid?
The canonical SMILES for N-(4-aminocyclohexyl)-4-(aminomethyl)benzenesulfonamide;furo[2,3-c]pyridine-2-carboxylic acid;(4-piperazin-1-ylsulfonylphenyl)methanamine;1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid;thieno[2,3-c]pyridine-2-carboxylic acid is NCc1ccc(S(=O)(=O)N2CCNCC2)cc1.NCc1ccc(S(=O)(=O)NC2CCC(N)CC2)cc1.O=C(O)c1cc2ccncc2o1.O=C(O)c1cc2ccncc2s1.O=C(O)c1cnc2[nH]ncc2c1.
What is the InChIKey of N-(4-aminocyclohexyl)-4-(aminomethyl)benzenesulfonamide;furo[2,3-c]pyridine-2-carboxylic acid;(4-piperazin-1-ylsulfonylphenyl)methanamine;1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid;thieno[2,3-c]pyridine-2-carboxylic acid?
The InChIKey is DDYXDPZQJSVUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S.C11H17N3O2S.C8H5NO3.C8H5NO2S.C7H5N3O2/c14-9-10-1-7-13(8-2-10)19(17,18)16-12-5-3-11(15)4-6-12;12-9-10-1-3-11(4-2-10)17(15,16)14-7-5-13-6-8-14;2*10-8(11)6-3-5-1-2-9-4-7(5)12-6;11-7(12)5-1-4-3-9-10-6(4)8-2-5/h1-2,7-8,11-12,16H,3-6,9,14-15H2;1-4,13H,5-9,12H2;2*1-4H,(H,10,11);1-3H,(H,11,12)(H,8,9,10).
What are the key properties of N-(4-aminocyclohexyl)-4-(aminomethyl)benzenesulfonamide;furo[2,3-c]pyridine-2-carboxylic acid;(4-piperazin-1-ylsulfonylphenyl)methanamine;1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid;thieno[2,3-c]pyridine-2-carboxylic acid?
N-(4-aminocyclohexyl)-4-(aminomethyl)benzenesulfonamide;furo[2,3-c]pyridine-2-carboxylic acid;(4-piperazin-1-ylsulfonylphenyl)methanamine;1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid;thieno[2,3-c]pyridine-2-carboxylic acid has a molecular weight of 1044.21 g/mol, XLogP of 4.61, 10 rotatable bonds, 9 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-4-(aminomethyl)benzenesulfonamide;furo[2,3-c]pyridine-2-carboxylic acid;(4-piperazin-1-ylsulfonylphenyl)methanamine;1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid;thieno[2,3-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 172702626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).