4-(6-chloro-1H-indazol-4-yl)benzenesulfonamide;1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;1-(6-chloro-1H-indazol-4-yl)-3-methylbutan-1-ol;(6-chloro-1H-indazol-4-yl)-phenylmethanol;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;(6-chloro-1H-indazol-4-yl)-piperidin-1-ylmethanone

C81H85Cl6N15O7S — CID 158357743

IUPAC4-(6-chloro-1H-indazol-4-yl)benzenesulfonamide;1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;1-(6-chloro-1H-indazol-4-yl)-3-methylbutan-1-ol;(6-chloro-1H-indazol-4-yl)-phenylmethanol;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;(6-chloro-1H-indazol-4-yl)-piperidin-1-ylmethanone
SMILESCC(=O)CCC1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.CC(C)CC(O)c1cc(Cl)cc2[nH]ncc12.NS(=O)(=O)c1ccc(-c2cc(Cl)cc3[nH]ncc23)cc1.O=C(c1cc(Cl)cc2[nH]ncc12)N1CCCCC1.OC(c1ccccc1)c1cc(Cl)cc2[nH]ncc12.OC1(c2cc(Cl)cc3[nH]ncc23)CCCCC1
InChIInChI=1S/C16H20ClN3O.C14H11ClN2O.C13H10ClN3O2S.C13H14ClN3O.C13H15ClN2O.C12H15ClN2O/c1-11(21)2-3-12-4-6-20(7-5-12)16-9-13(17)8-15-14(16)10-18-19-15;15-10-6-11(12-8-16-17-13(12)7-10)14(18)9-4-2-1-3-5-9;14-9-5-11(12-7-16-17-13(12)6-9)8-1-3-10(4-2-8)20(15,18)19;14-9-6-10(11-8-15-16-12(11)7-9)13(18)17-4-2-1-3-5-17;14-9-6-11(10-8-15-16-12(10)7-9)13(17)4-2-1-3-5-13;1-7(2)3-12(16)9-4-8(13)5-11-10(9)6-14-15-11/h8-10,12H,2-7H2,1H3,(H,18,19);1-8,14,18H,(H,16,17);1-7H,(H,16,17)(H2,15,18,19);6-8H,1-5H2,(H,15,16);6-8,17H,1-5H2,(H,15,16);4-7,12,16H,3H2,1-2H3,(H,14,15)
InChIKeyGTBWSKGZPKEXPI-UHFFFAOYSA-N
MW1625.45 g/mol
LogP19.14
Rot. Bonds13

About 4-(6-chloro-1H-indazol-4-yl)benzenesulfonamide;1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;1-(6-chloro-1H-indazol-4-yl)-3-methylbutan-1-ol;(6-chloro-1H-indazol-4-yl)-phenylmethanol;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;(6-chloro-1H-indazol-4-yl)-piperidin-1-ylmethanone

4-(6-chloro-1H-indazol-4-yl)benzenesulfonamide;1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;1-(6-chloro-1H-indazol-4-yl)-3-methylbutan-1-ol;(6-chloro-1H-indazol-4-yl)-phenylmethanol;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;(6-chloro-1H-indazol-4-yl)-piperidin-1-ylmethanone (PubChem CID 158357743) has the molecular formula C81H85Cl6N15O7S and a molecular weight of 1625.45 g/mol. Its IUPAC name is 4-(6-chloro-1H-indazol-4-yl)benzenesulfonamide;1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;1-(6-chloro-1H-indazol-4-yl)-3-methylbutan-1-ol;(6-chloro-1H-indazol-4-yl)-phenylmethanol;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;(6-chloro-1H-indazol-4-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name4-(6-chloro-1H-indazol-4-yl)benzenesulfonamide;1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;1-(6-chloro-1H-indazol-4-yl)-3-methylbutan-1-ol;(6-chloro-1H-indazol-4-yl)-phenylmethanol;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;(6-chloro-1H-indazol-4-yl)-piperidin-1-ylmethanone
PubChem CID158357743
Molecular FormulaC81H85Cl6N15O7S
Molecular Weight1625.45 g/mol
Exact Mass1621.46
IUPAC Name4-(6-chloro-1H-indazol-4-yl)benzenesulfonamide;1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;1-(6-chloro-1H-indazol-4-yl)-3-methylbutan-1-ol;(6-chloro-1H-indazol-4-yl)-phenylmethanol;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;(6-chloro-1H-indazol-4-yl)-piperidin-1-ylmethanone
SMILESCC(=O)CCC1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.CC(C)CC(O)c1cc(Cl)cc2[nH]ncc12.NS(=O)(=O)c1ccc(-c2cc(Cl)cc3[nH]ncc23)cc1.O=C(c1cc(Cl)cc2[nH]ncc12)N1CCCCC1.OC(c1ccccc1)c1cc(Cl)cc2[nH]ncc12.OC1(c2cc(Cl)cc3[nH]ncc23)CCCCC1
InChIInChI=1S/C16H20ClN3O.C14H11ClN2O.C13H10ClN3O2S.C13H14ClN3O.C13H15ClN2O.C12H15ClN2O/c1-11(21)2-3-12-4-6-20(7-5-12)16-9-13(17)8-15-14(16)10-18-19-15;15-10-6-11(12-8-16-17-13(12)7-10)14(18)9-4-2-1-3-5-9;14-9-5-11(12-7-16-17-13(12)6-9)8-1-3-10(4-2-8)20(15,18)19;14-9-6-10(11-8-15-16-12(11)7-9)13(18)17-4-2-1-3-5-17;14-9-6-11(10-8-15-16-12(10)7-9)13(17)4-2-1-3-5-13;1-7(2)3-12(16)9-4-8(13)5-11-10(9)6-14-15-11/h8-10,12H,2-7H2,1H3,(H,18,19);1-8,14,18H,(H,16,17);1-7H,(H,16,17)(H2,15,18,19);6-8H,1-5H2,(H,15,16);6-8,17H,1-5H2,(H,15,16);4-7,12,16H,3H2,1-2H3,(H,14,15)
InChIKeyGTBWSKGZPKEXPI-UHFFFAOYSA-N
XLogP19.14
TPSA333.55 Ų
H-Bond Donors10
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms110
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001625.45
LogP ≤ 519.14
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1014

Analyze 4-(6-chloro-1H-indazol-4-yl)benzenesulfonamide;1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;1-(6-chloro-1H-indazol-4-yl)-3-methylbutan-1-ol;(6-chloro-1H-indazol-4-yl)-phenylmethanol;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;(6-chloro-1H-indazol-4-yl)-piperidin-1-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-1H-indazol-4-yl)benzenesulfonamide;1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;1-(6-chloro-1H-indazol-4-yl)-3-methylbutan-1-ol;(6-chloro-1H-indazol-4-yl)-phenylmethanol;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;(6-chloro-1H-indazol-4-yl)-piperidin-1-ylmethanone?
The IUPAC name of 4-(6-chloro-1H-indazol-4-yl)benzenesulfonamide;1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;1-(6-chloro-1H-indazol-4-yl)-3-methylbutan-1-ol;(6-chloro-1H-indazol-4-yl)-phenylmethanol;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;(6-chloro-1H-indazol-4-yl)-piperidin-1-ylmethanone (CID 158357743) is 4-(6-chloro-1H-indazol-4-yl)benzenesulfonamide;1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;1-(6-chloro-1H-indazol-4-yl)-3-methylbutan-1-ol;(6-chloro-1H-indazol-4-yl)-phenylmethanol;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;(6-chloro-1H-indazol-4-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for 4-(6-chloro-1H-indazol-4-yl)benzenesulfonamide;1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;1-(6-chloro-1H-indazol-4-yl)-3-methylbutan-1-ol;(6-chloro-1H-indazol-4-yl)-phenylmethanol;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;(6-chloro-1H-indazol-4-yl)-piperidin-1-ylmethanone?
The canonical SMILES for 4-(6-chloro-1H-indazol-4-yl)benzenesulfonamide;1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;1-(6-chloro-1H-indazol-4-yl)-3-methylbutan-1-ol;(6-chloro-1H-indazol-4-yl)-phenylmethanol;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;(6-chloro-1H-indazol-4-yl)-piperidin-1-ylmethanone is CC(=O)CCC1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.CC(C)CC(O)c1cc(Cl)cc2[nH]ncc12.NS(=O)(=O)c1ccc(-c2cc(Cl)cc3[nH]ncc23)cc1.O=C(c1cc(Cl)cc2[nH]ncc12)N1CCCCC1.OC(c1ccccc1)c1cc(Cl)cc2[nH]ncc12.OC1(c2cc(Cl)cc3[nH]ncc23)CCCCC1.
What is the InChIKey of 4-(6-chloro-1H-indazol-4-yl)benzenesulfonamide;1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;1-(6-chloro-1H-indazol-4-yl)-3-methylbutan-1-ol;(6-chloro-1H-indazol-4-yl)-phenylmethanol;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;(6-chloro-1H-indazol-4-yl)-piperidin-1-ylmethanone?
The InChIKey is GTBWSKGZPKEXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O.C14H11ClN2O.C13H10ClN3O2S.C13H14ClN3O.C13H15ClN2O.C12H15ClN2O/c1-11(21)2-3-12-4-6-20(7-5-12)16-9-13(17)8-15-14(16)10-18-19-15;15-10-6-11(12-8-16-17-13(12)7-10)14(18)9-4-2-1-3-5-9;14-9-5-11(12-7-16-17-13(12)6-9)8-1-3-10(4-2-8)20(15,18)19;14-9-6-10(11-8-15-16-12(11)7-9)13(18)17-4-2-1-3-5-17;14-9-6-11(10-8-15-16-12(10)7-9)13(17)4-2-1-3-5-13;1-7(2)3-12(16)9-4-8(13)5-11-10(9)6-14-15-11/h8-10,12H,2-7H2,1H3,(H,18,19);1-8,14,18H,(H,16,17);1-7H,(H,16,17)(H2,15,18,19);6-8H,1-5H2,(H,15,16);6-8,17H,1-5H2,(H,15,16);4-7,12,16H,3H2,1-2H3,(H,14,15).
What are the key properties of 4-(6-chloro-1H-indazol-4-yl)benzenesulfonamide;1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;1-(6-chloro-1H-indazol-4-yl)-3-methylbutan-1-ol;(6-chloro-1H-indazol-4-yl)-phenylmethanol;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;(6-chloro-1H-indazol-4-yl)-piperidin-1-ylmethanone?
4-(6-chloro-1H-indazol-4-yl)benzenesulfonamide;1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;1-(6-chloro-1H-indazol-4-yl)-3-methylbutan-1-ol;(6-chloro-1H-indazol-4-yl)-phenylmethanol;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;(6-chloro-1H-indazol-4-yl)-piperidin-1-ylmethanone has a molecular weight of 1625.45 g/mol, XLogP of 19.14, 13 rotatable bonds, 10 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-1H-indazol-4-yl)benzenesulfonamide;1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;1-(6-chloro-1H-indazol-4-yl)-3-methylbutan-1-ol;(6-chloro-1H-indazol-4-yl)-phenylmethanol;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;(6-chloro-1H-indazol-4-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 158357743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).