4-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide

C15H11ClN2O3S2 — CID 1075101

IUPAC4-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
SMILESCS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(Cl)cc3)sc2c1
InChIInChI=1S/C15H11ClN2O3S2/c1-23(20,21)11-6-7-12-13(8-11)22-15(17-12)18-14(19)9-2-4-10(16)5-3-9/h2-8H,1H3,(H,17,18,19)
InChIKeyZIQOTBDLTLYNNI-UHFFFAOYSA-N
MW366.85 g/mol
LogP3.61
Rot. Bonds3

About 4-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide

4-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 1075101) has the molecular formula C15H11ClN2O3S2 and a molecular weight of 366.85 g/mol. Its IUPAC name is 4-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID1075101
Molecular FormulaC15H11ClN2O3S2
Molecular Weight366.85 g/mol
Exact Mass365.99
IUPAC Name4-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
SMILESCS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(Cl)cc3)sc2c1
InChIInChI=1S/C15H11ClN2O3S2/c1-23(20,21)11-6-7-12-13(8-11)22-15(17-12)18-14(19)9-2-4-10(16)5-3-9/h2-8H,1H3,(H,17,18,19)
InChIKeyZIQOTBDLTLYNNI-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

Benzamide, 4-amino-N-(benzothiazol-2-yl)-
CID 37560
N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 670282
N-Benzothiazol-2-yl-benzamide
CID 689669
Benzamide, N-2-benzothiazolyl-4-fluoro-
CID 749175
N-(1,3-Benzothiazol-2-YL)-2-chlorobenzamide
CID 587340
N-(1,3-Benzothiazol-2-YL)-2,4-dichlorobenzamide
CID 739902
N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-5-methylthiophene-2-carboxamide
CID 1225609
2-chloro-5-ethyl-N-(6-(3-(4-methylpiperazin-1-yl)propylsulfonyl)-benzo[d]thiazol-2-ylcarbamoyl)benzamide
CID 25227441
2-chloro-N-[[6-[3-(4-methylpiperazin-1-yl)propylsulfonyl]-1,3-benzothiazol-2-yl]carbamoyl]-5-pyrrolidin-1-ylbenzamide
CID 57422687
2-chloro-5-cyclopropyl-N-[[6-[3-(4-methylpiperazin-1-yl)propylsulfonyl]-1,3-benzothiazol-2-yl]carbamoyl]benzamide
CID 57422692
N-(6-Methanesulfonyl-benzothiazol-2-yl)-benzamide
CID 694930
N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 953496

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide (CID 1075101) is 4-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide is CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(Cl)cc3)sc2c1.
What is the InChIKey of 4-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is ZIQOTBDLTLYNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3S2/c1-23(20,21)11-6-7-12-13(8-11)22-15(17-12)18-14(19)9-2-4-10(16)5-3-9/h2-8H,1H3,(H,17,18,19).
What are the key properties of 4-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide?
4-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide 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 4-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 1075101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).