N-(1,2-benzothiazol-5-yl)-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide

C17H16ClN3O3S2 — CID 100795907

IUPACN-(1,2-benzothiazol-5-yl)-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide
SMILESCCN(CC(=O)Nc1ccc2sncc2c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O3S2/c1-2-21(26(23,24)15-6-3-13(18)4-7-15)11-17(22)20-14-5-8-16-12(9-14)10-19-25-16/h3-10H,2,11H2,1H3,(H,20,22)
InChIKeyWFADDHPBKPKEBD-UHFFFAOYSA-N
MW409.92 g/mol
LogP3.60
Rot. Bonds6

About N-(1,2-benzothiazol-5-yl)-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide

N-(1,2-benzothiazol-5-yl)-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide (PubChem CID 100795907) has the molecular formula C17H16ClN3O3S2 and a molecular weight of 409.92 g/mol. Its IUPAC name is N-(1,2-benzothiazol-5-yl)-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide.

Molecular Properties

Compound NameN-(1,2-benzothiazol-5-yl)-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide
PubChem CID100795907
Molecular FormulaC17H16ClN3O3S2
Molecular Weight409.92 g/mol
Exact Mass409.03
IUPAC NameN-(1,2-benzothiazol-5-yl)-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide
SMILESCCN(CC(=O)Nc1ccc2sncc2c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O3S2/c1-2-21(26(23,24)15-6-3-13(18)4-7-15)11-17(22)20-14-5-8-16-12(9-14)10-19-25-16/h3-10H,2,11H2,1H3,(H,20,22)
InChIKeyWFADDHPBKPKEBD-UHFFFAOYSA-N
XLogP3.60
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,2-benzothiazol-5-yl)-2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetamide
CID 100792074
N-(1,2-benzothiazol-5-yl)-2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetamide
CID 100792937
N-(1,2-benzothiazol-5-yl)-2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]acetamide
CID 100797754
N-(1,2-benzothiazol-5-yl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 100790245
N-(1,2-benzothiazol-5-yl)-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide
CID 100796768
N-(1,2-benzothiazol-5-yl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 100794232
N-(4-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 2224277
N-(3,4-dichlorophenyl)-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide
CID 3994526
ethyl 2-[4-[[2-[(4-chlorophenyl)sulfonyl-ethylamino]acetyl]amino]phenyl]acetate
CID 100795929
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 4593539
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-(4-chlorophenyl)acetamide
CID 45373905
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(2,5-difluorophenyl)acetamide
CID 28547200

Frequently Asked Questions

What is the IUPAC name of N-(1,2-benzothiazol-5-yl)-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide?
The IUPAC name of N-(1,2-benzothiazol-5-yl)-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide (CID 100795907) is N-(1,2-benzothiazol-5-yl)-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide.
What is the SMILES notation for N-(1,2-benzothiazol-5-yl)-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide?
The canonical SMILES for N-(1,2-benzothiazol-5-yl)-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide is CCN(CC(=O)Nc1ccc2sncc2c1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(1,2-benzothiazol-5-yl)-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide?
The InChIKey is WFADDHPBKPKEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3S2/c1-2-21(26(23,24)15-6-3-13(18)4-7-15)11-17(22)20-14-5-8-16-12(9-14)10-19-25-16/h3-10H,2,11H2,1H3,(H,20,22).
What are the key properties of N-(1,2-benzothiazol-5-yl)-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide?
N-(1,2-benzothiazol-5-yl)-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide has a molecular weight of 409.92 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-benzothiazol-5-yl)-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide is sourced from PubChem (CID 100795907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).