N-[[1-[(4-chlorophenyl)methyl]indazol-3-yl]methyl]-4,5-dimethyl-1,3-thiazole-2-sulfonamide

C20H19ClN4O2S2 — CID 166985013

IUPACN-[[1-[(4-chlorophenyl)methyl]indazol-3-yl]methyl]-4,5-dimethyl-1,3-thiazole-2-sulfonamide
SMILESCc1nc(S(=O)(=O)NCc2nn(Cc3ccc(Cl)cc3)c3ccccc23)sc1C
InChIInChI=1S/C20H19ClN4O2S2/c1-13-14(2)28-20(23-13)29(26,27)22-11-18-17-5-3-4-6-19(17)25(24-18)12-15-7-9-16(21)10-8-15/h3-10,22H,11-12H2,1-2H3
InChIKeyMOQLHKKIVPIHSK-UHFFFAOYSA-N
MW446.99 g/mol
LogP4.29
Rot. Bonds6

About N-[[1-[(4-chlorophenyl)methyl]indazol-3-yl]methyl]-4,5-dimethyl-1,3-thiazole-2-sulfonamide

N-[[1-[(4-chlorophenyl)methyl]indazol-3-yl]methyl]-4,5-dimethyl-1,3-thiazole-2-sulfonamide (PubChem CID 166985013) has the molecular formula C20H19ClN4O2S2 and a molecular weight of 446.99 g/mol. Its IUPAC name is N-[[1-[(4-chlorophenyl)methyl]indazol-3-yl]methyl]-4,5-dimethyl-1,3-thiazole-2-sulfonamide.

Molecular Properties

Compound NameN-[[1-[(4-chlorophenyl)methyl]indazol-3-yl]methyl]-4,5-dimethyl-1,3-thiazole-2-sulfonamide
PubChem CID166985013
Molecular FormulaC20H19ClN4O2S2
Molecular Weight446.99 g/mol
Exact Mass446.06
IUPAC NameN-[[1-[(4-chlorophenyl)methyl]indazol-3-yl]methyl]-4,5-dimethyl-1,3-thiazole-2-sulfonamide
SMILESCc1nc(S(=O)(=O)NCc2nn(Cc3ccc(Cl)cc3)c3ccccc23)sc1C
InChIInChI=1S/C20H19ClN4O2S2/c1-13-14(2)28-20(23-13)29(26,27)22-11-18-17-5-3-4-6-19(17)25(24-18)12-15-7-9-16(21)10-8-15/h3-10,22H,11-12H2,1-2H3
InChIKeyMOQLHKKIVPIHSK-UHFFFAOYSA-N
XLogP4.29
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.99
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-chlorophenyl)methyl]indazol-3-yl]methyl]-4,5-dimethyl-1,3-thiazole-2-sulfonamide?
The IUPAC name of N-[[1-[(4-chlorophenyl)methyl]indazol-3-yl]methyl]-4,5-dimethyl-1,3-thiazole-2-sulfonamide (CID 166985013) is N-[[1-[(4-chlorophenyl)methyl]indazol-3-yl]methyl]-4,5-dimethyl-1,3-thiazole-2-sulfonamide.
What is the SMILES notation for N-[[1-[(4-chlorophenyl)methyl]indazol-3-yl]methyl]-4,5-dimethyl-1,3-thiazole-2-sulfonamide?
The canonical SMILES for N-[[1-[(4-chlorophenyl)methyl]indazol-3-yl]methyl]-4,5-dimethyl-1,3-thiazole-2-sulfonamide is Cc1nc(S(=O)(=O)NCc2nn(Cc3ccc(Cl)cc3)c3ccccc23)sc1C.
What is the InChIKey of N-[[1-[(4-chlorophenyl)methyl]indazol-3-yl]methyl]-4,5-dimethyl-1,3-thiazole-2-sulfonamide?
The InChIKey is MOQLHKKIVPIHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2S2/c1-13-14(2)28-20(23-13)29(26,27)22-11-18-17-5-3-4-6-19(17)25(24-18)12-15-7-9-16(21)10-8-15/h3-10,22H,11-12H2,1-2H3.
What are the key properties of N-[[1-[(4-chlorophenyl)methyl]indazol-3-yl]methyl]-4,5-dimethyl-1,3-thiazole-2-sulfonamide?
N-[[1-[(4-chlorophenyl)methyl]indazol-3-yl]methyl]-4,5-dimethyl-1,3-thiazole-2-sulfonamide has a molecular weight of 446.99 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-chlorophenyl)methyl]indazol-3-yl]methyl]-4,5-dimethyl-1,3-thiazole-2-sulfonamide is sourced from PubChem (CID 166985013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).