N-[5-(benzenesulfonamido)-1,3-benzothiazol-2-yl]acetamide

C15H13N3O3S2 — CID 20971886

IUPACN-[5-(benzenesulfonamido)-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2cc(NS(=O)(=O)c3ccccc3)ccc2s1
InChIInChI=1S/C15H13N3O3S2/c1-10(19)16-15-17-13-9-11(7-8-14(13)22-15)18-23(20,21)12-5-3-2-4-6-12/h2-9,18H,1H3,(H,16,17,19)
InChIKeyGXDDNXJUIBDSAH-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.06
Rot. Bonds4

About N-[5-(benzenesulfonamido)-1,3-benzothiazol-2-yl]acetamide

N-[5-(benzenesulfonamido)-1,3-benzothiazol-2-yl]acetamide (PubChem CID 20971886) has the molecular formula C15H13N3O3S2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[5-(benzenesulfonamido)-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(benzenesulfonamido)-1,3-benzothiazol-2-yl]acetamide
PubChem CID20971886
Molecular FormulaC15H13N3O3S2
Molecular Weight347.42 g/mol
Exact Mass347.04
IUPAC NameN-[5-(benzenesulfonamido)-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2cc(NS(=O)(=O)c3ccccc3)ccc2s1
InChIInChI=1S/C15H13N3O3S2/c1-10(19)16-15-17-13-9-11(7-8-14(13)22-15)18-23(20,21)12-5-3-2-4-6-12/h2-9,18H,1H3,(H,16,17,19)
InChIKeyGXDDNXJUIBDSAH-UHFFFAOYSA-N
XLogP3.06
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(3-methylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide
CID 20971915
N-[5-[(3-chlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide
CID 20971908
N-[5-(benzenesulfonamido)-1,3-benzothiazol-2-yl]-4-methylbenzamide
CID 46379293
N-[5-[[3-(trifluoromethyl)phenyl]sulfonylamino]-1,3-benzothiazol-2-yl]acetamide
CID 20971880
N-[5-[(2,4,6-trimethylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide
CID 20971882
1-[2-(benzenesulfonamido)-1,3-benzothiazol-5-yl]-3-(4-fluorophenyl)urea
CID 46394211
N-[6-[(3-chlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide
CID 46325489
N-[5-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-1,3-benzothiazol-2-yl]acetamide
CID 20971892
N-[5-[(4-methoxyphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide
CID 20971843
N-[5-[5-(benzenesulfonamido)-2-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 86620407
N-(2-acetamido-1,3-benzothiazol-5-yl)-2-methylbenzamide
CID 46328641
1-[2-(benzenesulfonamido)-1,3-benzothiazol-5-yl]-3-(3-ethoxypropyl)urea
CID 46394214

Frequently Asked Questions

What is the IUPAC name of N-[5-(benzenesulfonamido)-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of N-[5-(benzenesulfonamido)-1,3-benzothiazol-2-yl]acetamide (CID 20971886) is N-[5-(benzenesulfonamido)-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(benzenesulfonamido)-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(benzenesulfonamido)-1,3-benzothiazol-2-yl]acetamide is CC(=O)Nc1nc2cc(NS(=O)(=O)c3ccccc3)ccc2s1.
What is the InChIKey of N-[5-(benzenesulfonamido)-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is GXDDNXJUIBDSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S2/c1-10(19)16-15-17-13-9-11(7-8-14(13)22-15)18-23(20,21)12-5-3-2-4-6-12/h2-9,18H,1H3,(H,16,17,19).
What are the key properties of N-[5-(benzenesulfonamido)-1,3-benzothiazol-2-yl]acetamide?
N-[5-(benzenesulfonamido)-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 347.42 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(benzenesulfonamido)-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 20971886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).