4-(benzenesulfonamido)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)benzamide

C23H21N3O3S2 — CID 121043819

IUPAC4-(benzenesulfonamido)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCc1ccc2c(c1)s/c(=N\C(=O)c1ccc(NS(=O)(=O)c3ccccc3)cc1)n2C
InChIInChI=1S/C23H21N3O3S2/c1-3-16-9-14-20-21(15-16)30-23(26(20)2)24-22(27)17-10-12-18(13-11-17)25-31(28,29)19-7-5-4-6-8-19/h4-15,25H,3H2,1-2H3/b24-23-
InChIKeyIFDLRRHQAMOEEP-VHXPQNKSSA-N
MW451.57 g/mol
LogP4.34
Rot. Bonds5

About 4-(benzenesulfonamido)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)benzamide

4-(benzenesulfonamido)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 121043819) has the molecular formula C23H21N3O3S2 and a molecular weight of 451.57 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID121043819
Molecular FormulaC23H21N3O3S2
Molecular Weight451.57 g/mol
Exact Mass451.10
IUPAC Name4-(benzenesulfonamido)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCc1ccc2c(c1)s/c(=N\C(=O)c1ccc(NS(=O)(=O)c3ccccc3)cc1)n2C
InChIInChI=1S/C23H21N3O3S2/c1-3-16-9-14-20-21(15-16)30-23(26(20)2)24-22(27)17-10-12-18(13-11-17)25-31(28,29)19-7-5-4-6-8-19/h4-15,25H,3H2,1-2H3/b24-23-
InChIKeyIFDLRRHQAMOEEP-VHXPQNKSSA-N
XLogP4.34
TPSA80.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 121044614
methyl 2-[2-[4-(benzenesulfonamido)benzoyl]imino-6-ethyl-1,3-benzothiazol-3-yl]acetate
CID 121043821
4-(benzenesulfonamido)-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 121043626
N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 40962585
4-(benzenesulfonamido)-N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 121043679
4-(benzenesulfonamido)-N-(3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 121043683
N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-piperidin-1-ylsulfonylbenzamide
CID 40996574
N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 121043961
4-[(4-chlorophenyl)sulfonylamino]-N-(6-ethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 121045072
4-[(4-chlorophenyl)sulfonylamino]-N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 121044724
4-(benzenesulfonamido)-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 121043630
4-(benzenesulfonamido)-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 121043724

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)benzamide (CID 121043819) is 4-(benzenesulfonamido)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)benzamide is CCc1ccc2c(c1)s/c(=N\C(=O)c1ccc(NS(=O)(=O)c3ccccc3)cc1)n2C.
What is the InChIKey of 4-(benzenesulfonamido)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is IFDLRRHQAMOEEP-VHXPQNKSSA-N. The full InChI is InChI=1S/C23H21N3O3S2/c1-3-16-9-14-20-21(15-16)30-23(26(20)2)24-22(27)17-10-12-18(13-11-17)25-31(28,29)19-7-5-4-6-8-19/h4-15,25H,3H2,1-2H3/b24-23-.
What are the key properties of 4-(benzenesulfonamido)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)benzamide?
4-(benzenesulfonamido)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 451.57 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 121043819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).