3-(benzenesulfonamido)-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide

C21H16ClN3O4S2 — CID 41018251

IUPAC3-(benzenesulfonamido)-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc(Cl)c2sc(NC(=O)c3cccc(NS(=O)(=O)c4ccccc4)c3)nc12
InChIInChI=1S/C21H16ClN3O4S2/c1-29-17-11-10-16(22)19-18(17)23-21(30-19)24-20(26)13-6-5-7-14(12-13)25-31(27,28)15-8-3-2-4-9-15/h2-12,25H,1H3,(H,23,24,26)
InChIKeyPVHVRLAFRGCTGE-UHFFFAOYSA-N
MW473.96 g/mol
LogP5.01
Rot. Bonds6

About 3-(benzenesulfonamido)-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide

3-(benzenesulfonamido)-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 41018251) has the molecular formula C21H16ClN3O4S2 and a molecular weight of 473.96 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID41018251
Molecular FormulaC21H16ClN3O4S2
Molecular Weight473.96 g/mol
Exact Mass473.03
IUPAC Name3-(benzenesulfonamido)-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc(Cl)c2sc(NC(=O)c3cccc(NS(=O)(=O)c4ccccc4)c3)nc12
InChIInChI=1S/C21H16ClN3O4S2/c1-29-17-11-10-16(22)19-18(17)23-21(30-19)24-20(26)13-6-5-7-14(12-13)25-31(27,28)15-8-3-2-4-9-15/h2-12,25H,1H3,(H,23,24,26)
InChIKeyPVHVRLAFRGCTGE-UHFFFAOYSA-N
XLogP5.01
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.96
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-[(4-chlorophenyl)sulfonylamino]benzamide
CID 41018254
4-(benzenesulfonamido)-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 41018256
3-[(4-chlorophenyl)sulfonylamino]-N-(4,7-dichloro-1,3-benzothiazol-2-yl)benzamide
CID 121042912
4-benzoyl-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 41073963
3-(benzenesulfonamido)-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 121041666
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 41018250
4-(benzenesulfonamido)-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 16803054
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide
CID 7192494
N-(4,5-diphenyl-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043163
N'-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-ethylsulfonylbenzohydrazide
CID 41074302
N-benzo[g][1,3]benzothiazol-2-yl-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043145
N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043147

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 3-(benzenesulfonamido)-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide (CID 41018251) is 3-(benzenesulfonamido)-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide is COc1ccc(Cl)c2sc(NC(=O)c3cccc(NS(=O)(=O)c4ccccc4)c3)nc12.
What is the InChIKey of 3-(benzenesulfonamido)-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is PVHVRLAFRGCTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O4S2/c1-29-17-11-10-16(22)19-18(17)23-21(30-19)24-20(26)13-6-5-7-14(12-13)25-31(27,28)15-8-3-2-4-9-15/h2-12,25H,1H3,(H,23,24,26).
What are the key properties of 3-(benzenesulfonamido)-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide?
3-(benzenesulfonamido)-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 473.96 g/mol, XLogP of 5.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 41018251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).