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

C15H11ClN2O3S2 — CID 7565735

IUPACN-(4-chloro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2nc3c(Cl)cccc3s2)cc1
InChIInChI=1S/C15H11ClN2O3S2/c1-23(20,21)10-7-5-9(6-8-10)14(19)18-15-17-13-11(16)3-2-4-12(13)22-15/h2-8H,1H3,(H,17,18,19)
InChIKeyIQLWPNQGKDFFSN-UHFFFAOYSA-N
MW366.85 g/mol
LogP3.61
Rot. Bonds3

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

N-(4-chloro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzamide (PubChem CID 7565735) has the molecular formula C15H11ClN2O3S2 and a molecular weight of 366.85 g/mol. Its IUPAC name is N-(4-chloro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-chloro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzamide
PubChem CID7565735
Molecular FormulaC15H11ClN2O3S2
Molecular Weight366.85 g/mol
Exact Mass365.99
IUPAC NameN-(4-chloro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2nc3c(Cl)cccc3s2)cc1
InChIInChI=1S/C15H11ClN2O3S2/c1-23(20,21)10-7-5-9(6-8-10)14(19)18-15-17-13-11(16)3-2-4-12(13)22-15/h2-8H,1H3,(H,17,18,19)
InChIKeyIQLWPNQGKDFFSN-UHFFFAOYSA-N
XLogP3.61
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzamide
CID 7267223
4-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)benzamide
CID 4570143
N-(4-chloro-1,3-benzothiazol-2-yl)-4-[cyclopentyl(methyl)sulfamoyl]benzamide
CID 16831189
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-ethylsulfonylbenzamide
CID 7579507
N-(4-methyl-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2640846
N-(4-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
CID 155519709
N'-(4-fluoro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzohydrazide
CID 7599822
N-(4,6-dichloro-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)benzamide
CID 2159265
4-chloro-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7192526
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 7192499
N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-ethylsulfonylbenzamide
CID 16822993
N'-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzohydrazide
CID 43953395

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzamide?
The IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzamide (CID 7565735) is N-(4-chloro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzamide.
What is the SMILES notation for N-(4-chloro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzamide?
The canonical SMILES for N-(4-chloro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzamide is CS(=O)(=O)c1ccc(C(=O)Nc2nc3c(Cl)cccc3s2)cc1.
What is the InChIKey of N-(4-chloro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzamide?
The InChIKey is IQLWPNQGKDFFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3S2/c1-23(20,21)10-7-5-9(6-8-10)14(19)18-15-17-13-11(16)3-2-4-12(13)22-15/h2-8H,1H3,(H,17,18,19).
What are the key properties of N-(4-chloro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzamide?
N-(4-chloro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzamide has a molecular weight of 366.85 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzamide is sourced from PubChem (CID 7565735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).