3-(benzenesulfonamido)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide

C23H21N3O3S2 — CID 121041674

IUPAC3-(benzenesulfonamido)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCc1cc(C)c2s/c(=N\C(=O)c3cccc(NS(=O)(=O)c4ccccc4)c3)n(C)c2c1
InChIInChI=1S/C23H21N3O3S2/c1-15-12-16(2)21-20(13-15)26(3)23(30-21)24-22(27)17-8-7-9-18(14-17)25-31(28,29)19-10-5-4-6-11-19/h4-14,25H,1-3H3/b24-23-
InChIKeyJQBDTBIFEFQQKU-VHXPQNKSSA-N
MW451.57 g/mol
LogP4.40
Rot. Bonds4

About 3-(benzenesulfonamido)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide

3-(benzenesulfonamido)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 121041674) has the molecular formula C23H21N3O3S2 and a molecular weight of 451.57 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID121041674
Molecular FormulaC23H21N3O3S2
Molecular Weight451.57 g/mol
Exact Mass451.10
IUPAC Name3-(benzenesulfonamido)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCc1cc(C)c2s/c(=N\C(=O)c3cccc(NS(=O)(=O)c4ccccc4)c3)n(C)c2c1
InChIInChI=1S/C23H21N3O3S2/c1-15-12-16(2)21-20(13-15)26(3)23(30-21)24-22(27)17-8-7-9-18(14-17)25-31(28,29)19-10-5-4-6-11-19/h4-14,25H,1-3H3/b24-23-
InChIKeyJQBDTBIFEFQQKU-VHXPQNKSSA-N
XLogP4.40
TPSA80.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-chlorophenyl)sulfonylamino]-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 121042699
N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043360
3-chloro-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885113
N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043250
methyl 2-[2-[4-(benzenesulfonamido)benzoyl]imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate
CID 121043705
4-(benzenesulfonamido)-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 121043630
3-(benzenesulfonamido)-N-[3-(2-ethoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]benzamide
CID 121041707
N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043155
N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 121041894
N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 41004554
3-[(4-chlorophenyl)sulfonylamino]-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzamide
CID 121043043
ethyl 2-[3-[(4-fluorophenyl)sulfonylamino]benzoyl]imino-3-methyl-1,3-benzothiazole-6-carboxylate
CID 121042054

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 3-(benzenesulfonamido)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide (CID 121041674) is 3-(benzenesulfonamido)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide is Cc1cc(C)c2s/c(=N\C(=O)c3cccc(NS(=O)(=O)c4ccccc4)c3)n(C)c2c1.
What is the InChIKey of 3-(benzenesulfonamido)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is JQBDTBIFEFQQKU-VHXPQNKSSA-N. The full InChI is InChI=1S/C23H21N3O3S2/c1-15-12-16(2)21-20(13-15)26(3)23(30-21)24-22(27)17-8-7-9-18(14-17)25-31(28,29)19-10-5-4-6-11-19/h4-14,25H,1-3H3/b24-23-.
What are the key properties of 3-(benzenesulfonamido)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
3-(benzenesulfonamido)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 451.57 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 121041674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).