N-(1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide

C16H13ClN2O3S2 — CID 17225028

IUPACN-(1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide
SMILESO=C(CS(=O)(=O)Cc1ccc(Cl)cc1)Nc1nc2ccccc2s1
InChIInChI=1S/C16H13ClN2O3S2/c17-12-7-5-11(6-8-12)9-24(21,22)10-15(20)19-16-18-13-3-1-2-4-14(13)23-16/h1-8H,9-10H2,(H,18,19,20)
InChIKeyDZZGREWWHUGHAL-UHFFFAOYSA-N
MW380.88 g/mol
LogP3.50
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide

N-(1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide (PubChem CID 17225028) has the molecular formula C16H13ClN2O3S2 and a molecular weight of 380.88 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide
PubChem CID17225028
Molecular FormulaC16H13ClN2O3S2
Molecular Weight380.88 g/mol
Exact Mass380.01
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide
SMILESO=C(CS(=O)(=O)Cc1ccc(Cl)cc1)Nc1nc2ccccc2s1
InChIInChI=1S/C16H13ClN2O3S2/c17-12-7-5-11(6-8-12)9-24(21,22)10-15(20)19-16-18-13-3-1-2-4-14(13)23-16/h1-8H,9-10H2,(H,18,19,20)
InChIKeyDZZGREWWHUGHAL-UHFFFAOYSA-N
XLogP3.50
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-chlorophenyl)methylsulfonyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 17225204
2-(benzenesulfonyl)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
CID 7544410
[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 3-(4-chlorophenyl)sulfonylpropanoate
CID 2104436
N-[5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]-2-[(4-chlorophenyl)methylsulfonyl]acetamide
CID 17225296
3-amino-N-(1,3-benzothiazol-2-yl)-3-sulfanylidenepropanamide
CID 43120469
N-(1,3-benzothiazol-2-yl)-2-nitrosoacetamide
CID 91592084
2-[2-[(4-chlorophenyl)methylsulfonyl]ethylsulfanyl]-1,3-benzothiazole
CID 3360912
N-(1,3-benzothiazol-2-yl)-2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 46925503
[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
CID 23791370
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
3-(4-aminophenyl)-N-(1,3-benzothiazol-2-yl)propanamide
CID 61037275
2-[benzenesulfonyl(methyl)amino]-N-(1,3-benzothiazol-2-yl)acetamide
CID 2219880

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide (CID 17225028) is N-(1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide is O=C(CS(=O)(=O)Cc1ccc(Cl)cc1)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide?
The InChIKey is DZZGREWWHUGHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3S2/c17-12-7-5-11(6-8-12)9-24(21,22)10-15(20)19-16-18-13-3-1-2-4-14(13)23-16/h1-8H,9-10H2,(H,18,19,20).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide?
N-(1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide has a molecular weight of 380.88 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide is sourced from PubChem (CID 17225028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).