N-(2,1,3-benzothiadiazol-4-yl)-3-[(4-ethylphenyl)sulfonylamino]benzamide

C21H18N4O3S2 — CID 50837971

IUPACN-(2,1,3-benzothiadiazol-4-yl)-3-[(4-ethylphenyl)sulfonylamino]benzamide
SMILESCCc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc4nsnc34)c2)cc1
InChIInChI=1S/C21H18N4O3S2/c1-2-14-9-11-17(12-10-14)30(27,28)25-16-6-3-5-15(13-16)21(26)22-18-7-4-8-19-20(18)24-29-23-19/h3-13,25H,2H2,1H3,(H,22,26)
InChIKeyPUDSYRLOXUQEGG-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.31
Rot. Bonds6

About N-(2,1,3-benzothiadiazol-4-yl)-3-[(4-ethylphenyl)sulfonylamino]benzamide

N-(2,1,3-benzothiadiazol-4-yl)-3-[(4-ethylphenyl)sulfonylamino]benzamide (PubChem CID 50837971) has the molecular formula C21H18N4O3S2 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-yl)-3-[(4-ethylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-yl)-3-[(4-ethylphenyl)sulfonylamino]benzamide
PubChem CID50837971
Molecular FormulaC21H18N4O3S2
Molecular Weight438.53 g/mol
Exact Mass438.08
IUPAC NameN-(2,1,3-benzothiadiazol-4-yl)-3-[(4-ethylphenyl)sulfonylamino]benzamide
SMILESCCc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc4nsnc34)c2)cc1
InChIInChI=1S/C21H18N4O3S2/c1-2-14-9-11-17(12-10-14)30(27,28)25-16-6-3-5-15(13-16)21(26)22-18-7-4-8-19-20(18)24-29-23-19/h3-13,25H,2H2,1H3,(H,22,26)
InChIKeyPUDSYRLOXUQEGG-UHFFFAOYSA-N
XLogP4.31
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,1,3-benzothiadiazol-4-yl)-3-[(2-bromophenyl)sulfonylamino]benzamide
CID 46393977
3-(benzenesulfonamido)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 121041534
3-[(4-ethylphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24629312
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043156
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 4-ethylbenzoate
CID 7775691
3-(benzenesulfonamido)-N-(2-methylphenyl)benzamide
CID 9341944
N-(2,1,3-benzothiadiazol-4-yl)-6-ethyl-4-oxochromene-2-carboxamide
CID 51064565
3-(benzenesulfonamido)-N-(2-hydroxyphenyl)benzamide
CID 35979337
3-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)benzamide
CID 26538067
N-(3-chloro-2-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 9413988
4-[(4-ethylphenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide
CID 7516537
3-[(4-methylphenyl)sulfonylamino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
CID 92505181

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-3-[(4-ethylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-3-[(4-ethylphenyl)sulfonylamino]benzamide (CID 50837971) is N-(2,1,3-benzothiadiazol-4-yl)-3-[(4-ethylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-yl)-3-[(4-ethylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-yl)-3-[(4-ethylphenyl)sulfonylamino]benzamide is CCc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc4nsnc34)c2)cc1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-yl)-3-[(4-ethylphenyl)sulfonylamino]benzamide?
The InChIKey is PUDSYRLOXUQEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S2/c1-2-14-9-11-17(12-10-14)30(27,28)25-16-6-3-5-15(13-16)21(26)22-18-7-4-8-19-20(18)24-29-23-19/h3-13,25H,2H2,1H3,(H,22,26).
What are the key properties of N-(2,1,3-benzothiadiazol-4-yl)-3-[(4-ethylphenyl)sulfonylamino]benzamide?
N-(2,1,3-benzothiadiazol-4-yl)-3-[(4-ethylphenyl)sulfonylamino]benzamide has a molecular weight of 438.53 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-4-yl)-3-[(4-ethylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 50837971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).