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

C23H21N3O3S2 — CID 121043630

IUPAC4-(benzenesulfonamido)-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCc1cc(C)c2c(c1)s/c(=N\C(=O)c1ccc(NS(=O)(=O)c3ccccc3)cc1)n2C
InChIInChI=1S/C23H21N3O3S2/c1-15-13-16(2)21-20(14-15)30-23(26(21)3)24-22(27)17-9-11-18(12-10-17)25-31(28,29)19-7-5-4-6-8-19/h4-14,25H,1-3H3/b24-23-
InChIKeySRKXFMSMCJJZHQ-VHXPQNKSSA-N
MW451.57 g/mol
LogP4.40
Rot. Bonds4

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

4-(benzenesulfonamido)-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 121043630) has the molecular formula C23H21N3O3S2 and a molecular weight of 451.57 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID121043630
Molecular FormulaC23H21N3O3S2
Molecular Weight451.57 g/mol
Exact Mass451.10
IUPAC Name4-(benzenesulfonamido)-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCc1cc(C)c2c(c1)s/c(=N\C(=O)c1ccc(NS(=O)(=O)c3ccccc3)cc1)n2C
InChIInChI=1S/C23H21N3O3S2/c1-15-13-16(2)21-20(14-15)30-23(26(21)3)24-22(27)17-9-11-18(12-10-17)25-31(28,29)19-7-5-4-6-8-19/h4-14,25H,1-3H3/b24-23-
InChIKeySRKXFMSMCJJZHQ-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

N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 121044066
4-(benzenesulfonamido)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 121043819
4-(benzenesulfonamido)-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 121043626
3-(benzenesulfonamido)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 121041674
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5082137
methyl 2-[2-[4-(benzenesulfonamido)benzoyl]imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate
CID 121043705
N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 121043961
methyl 2-[2-[4-(benzenesulfonamido)benzoyl]imino-5,6-dimethyl-1,3-benzothiazol-3-yl]acetate
CID 41004589
4-(benzenesulfonamido)-N-(3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 121043683
4-[(4-fluorophenyl)sulfonylamino]-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 121044492
N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 121044606
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-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide (CID 121043630) is 4-(benzenesulfonamido)-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide is Cc1cc(C)c2c(c1)s/c(=N\C(=O)c1ccc(NS(=O)(=O)c3ccccc3)cc1)n2C.
What is the InChIKey of 4-(benzenesulfonamido)-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is SRKXFMSMCJJZHQ-VHXPQNKSSA-N. The full InChI is InChI=1S/C23H21N3O3S2/c1-15-13-16(2)21-20(14-15)30-23(26(21)3)24-22(27)17-9-11-18(12-10-17)25-31(28,29)19-7-5-4-6-8-19/h4-14,25H,1-3H3/b24-23-.
What are the key properties of 4-(benzenesulfonamido)-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
4-(benzenesulfonamido)-N-(3,4,6-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 4-(benzenesulfonamido)-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 121043630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).