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

C16H13ClN2O4S2 — CID 7590113

IUPACN-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide
SMILESCOc1ccc(Cl)c2sc(NC(=O)c3ccccc3S(C)(=O)=O)nc12
InChIInChI=1S/C16H13ClN2O4S2/c1-23-11-8-7-10(17)14-13(11)18-16(24-14)19-15(20)9-5-3-4-6-12(9)25(2,21)22/h3-8H,1-2H3,(H,18,19,20)
InChIKeyOWMWUUXBAAPUGG-UHFFFAOYSA-N
MW396.88 g/mol
LogP3.61
Rot. Bonds4

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

N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide (PubChem CID 7590113) has the molecular formula C16H13ClN2O4S2 and a molecular weight of 396.88 g/mol. Its IUPAC name is N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide
PubChem CID7590113
Molecular FormulaC16H13ClN2O4S2
Molecular Weight396.88 g/mol
Exact Mass396.00
IUPAC NameN-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide
SMILESCOc1ccc(Cl)c2sc(NC(=O)c3ccccc3S(C)(=O)=O)nc12
InChIInChI=1S/C16H13ClN2O4S2/c1-23-11-8-7-10(17)14-13(11)18-16(24-14)19-15(20)9-5-3-4-6-12(9)25(2,21)22/h3-8H,1-2H3,(H,18,19,20)
InChIKeyOWMWUUXBAAPUGG-UHFFFAOYSA-N
XLogP3.61
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 41018250
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide
CID 7590116
N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-ethylsulfonylbenzamide
CID 18577011
4-benzoyl-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 41073963
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide
CID 7590071
4-(benzenesulfonamido)-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 41018256
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 7590058
1-benzhydryl-3-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)urea
CID 121082762
3-(benzenesulfonamido)-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 41018251
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-(dimethylamino)benzamide
CID 7590088
1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-ethylurea
CID 121082763
methyl 4-methyl-2-[(2-methylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 44922208

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide?
The IUPAC name of N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide (CID 7590113) is N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide.
What is the SMILES notation for N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide?
The canonical SMILES for N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide is COc1ccc(Cl)c2sc(NC(=O)c3ccccc3S(C)(=O)=O)nc12.
What is the InChIKey of N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide?
The InChIKey is OWMWUUXBAAPUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O4S2/c1-23-11-8-7-10(17)14-13(11)18-16(24-14)19-15(20)9-5-3-4-6-12(9)25(2,21)22/h3-8H,1-2H3,(H,18,19,20).
What are the key properties of N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide?
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide has a molecular weight of 396.88 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide is sourced from PubChem (CID 7590113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).