4-(benzenesulfonamido)-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide

C21H17N3O4S2 — CID 16803054

IUPAC4-(benzenesulfonamido)-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1cccc2sc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)nc12
InChIInChI=1S/C21H17N3O4S2/c1-28-17-8-5-9-18-19(17)22-21(29-18)23-20(25)14-10-12-15(13-11-14)24-30(26,27)16-6-3-2-4-7-16/h2-13,24H,1H3,(H,22,23,25)
InChIKeyPHNIGHFCPVKCBX-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.36
Rot. Bonds6

About 4-(benzenesulfonamido)-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide

4-(benzenesulfonamido)-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 16803054) has the molecular formula C21H17N3O4S2 and a molecular weight of 439.52 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID16803054
Molecular FormulaC21H17N3O4S2
Molecular Weight439.52 g/mol
Exact Mass439.07
IUPAC Name4-(benzenesulfonamido)-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1cccc2sc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)nc12
InChIInChI=1S/C21H17N3O4S2/c1-28-17-8-5-9-18-19(17)22-21(29-18)23-20(25)14-10-12-15(13-11-14)24-30(26,27)16-6-3-2-4-7-16/h2-13,24H,1H3,(H,22,23,25)
InChIKeyPHNIGHFCPVKCBX-UHFFFAOYSA-N
XLogP4.36
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(benzenesulfonamido)-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(benzenesulfonamido)-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 41018256
N-(4-bromo-1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121045467
4-N-(4-methoxy-1,3-benzothiazol-2-yl)benzene-1,4-dicarboxamide
CID 78797293
2-benzamido-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 35871813
N-(4-methoxy-1,3-benzothiazol-2-yl)-4-methylsulfinylbenzamide
CID 78797294
N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121045166
3-(benzenesulfonamido)-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 41018251
N-[6-[(4-ethoxyphenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide
CID 46325720
N-[4-methoxy-6-[(4-propylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]benzamide
CID 46325696
N-[6-[(3,4-difluorophenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide
CID 46325722
4-iodo-N-(4-methoxy-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 3376104
(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 22283036

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide (CID 16803054) is 4-(benzenesulfonamido)-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide is COc1cccc2sc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)nc12.
What is the InChIKey of 4-(benzenesulfonamido)-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is PHNIGHFCPVKCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4S2/c1-28-17-8-5-9-18-19(17)22-21(29-18)23-20(25)14-10-12-15(13-11-14)24-30(26,27)16-6-3-2-4-7-16/h2-13,24H,1H3,(H,22,23,25).
What are the key properties of 4-(benzenesulfonamido)-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide?
4-(benzenesulfonamido)-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 439.52 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 16803054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).