N-(1,3-benzothiazol-2-yl)-1-(2-chlorophenyl)methanesulfonamide

C14H11ClN2O2S2 — CID 17257540

IUPACN-(1,3-benzothiazol-2-yl)-1-(2-chlorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)Nc1nc2ccccc2s1
InChIInChI=1S/C14H11ClN2O2S2/c15-11-6-2-1-5-10(11)9-21(18,19)17-14-16-12-7-3-4-8-13(12)20-14/h1-8H,9H2,(H,16,17)
InChIKeyZHNFJIAGPIFJBT-UHFFFAOYSA-N
MW338.84 g/mol
LogP3.89
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-1-(2-chlorophenyl)methanesulfonamide

N-(1,3-benzothiazol-2-yl)-1-(2-chlorophenyl)methanesulfonamide (PubChem CID 17257540) has the molecular formula C14H11ClN2O2S2 and a molecular weight of 338.84 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-1-(2-chlorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-1-(2-chlorophenyl)methanesulfonamide
PubChem CID17257540
Molecular FormulaC14H11ClN2O2S2
Molecular Weight338.84 g/mol
Exact Mass338.00
IUPAC NameN-(1,3-benzothiazol-2-yl)-1-(2-chlorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)Nc1nc2ccccc2s1
InChIInChI=1S/C14H11ClN2O2S2/c15-11-6-2-1-5-10(11)9-21(18,19)17-14-16-12-7-3-4-8-13(12)20-14/h1-8H,9H2,(H,16,17)
InChIKeyZHNFJIAGPIFJBT-UHFFFAOYSA-N
XLogP3.89
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-yl)ethanesulfonamide
CID 1228177
N-(1,3-benzothiazol-2-yl)propane-1-sulfonamide
CID 60640584
2-(1,3-benzothiazol-2-ylsulfamoyl)acetic acid
CID 28774217
2-amino-N-(1,3-benzothiazol-2-yl)ethanesulfonamide
CID 24710948
1-(2-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)methanesulfonamide
CID 4654981
1-(1,3-benzothiazol-2-yl)-3-[(2-chlorophenyl)methyl]urea
CID 41328118
1-[2-[(1,3-benzothiazol-2-ylamino)methyl]phenyl]-N-methylmethanesulfonamide
CID 47015531
N-(1,3-benzothiazol-2-yl)-5-chlorothiophene-2-sulfonamide
CID 893880
1-(2-chlorophenyl)-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide
CID 17321688
1-(2-chlorophenyl)-N-pyridin-4-ylmethanesulfonamide
CID 3944658
1-(2-chlorophenyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)methanesulfonamide
CID 17257620
N-(1,3-benzothiazol-2-yl)-2-chloro-1,3-thiazole-5-sulfonamide
CID 43455882

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-1-(2-chlorophenyl)methanesulfonamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-1-(2-chlorophenyl)methanesulfonamide (CID 17257540) is N-(1,3-benzothiazol-2-yl)-1-(2-chlorophenyl)methanesulfonamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-1-(2-chlorophenyl)methanesulfonamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-1-(2-chlorophenyl)methanesulfonamide is O=S(=O)(Cc1ccccc1Cl)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-1-(2-chlorophenyl)methanesulfonamide?
The InChIKey is ZHNFJIAGPIFJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2S2/c15-11-6-2-1-5-10(11)9-21(18,19)17-14-16-12-7-3-4-8-13(12)20-14/h1-8H,9H2,(H,16,17).
What are the key properties of N-(1,3-benzothiazol-2-yl)-1-(2-chlorophenyl)methanesulfonamide?
N-(1,3-benzothiazol-2-yl)-1-(2-chlorophenyl)methanesulfonamide has a molecular weight of 338.84 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-1-(2-chlorophenyl)methanesulfonamide is sourced from PubChem (CID 17257540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).