3-(1,3-benzothiazol-2-ylamino)benzenesulfonamide

C13H11N3O2S2 — CID 29067972

IUPAC3-(1,3-benzothiazol-2-ylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(Nc2nc3ccccc3s2)c1
InChIInChI=1S/C13H11N3O2S2/c14-20(17,18)10-5-3-4-9(8-10)15-13-16-11-6-1-2-7-12(11)19-13/h1-8H,(H,15,16)(H2,14,17,18)
InChIKeyKIHVZFVMLXUQAE-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.69
Rot. Bonds3

About 3-(1,3-benzothiazol-2-ylamino)benzenesulfonamide

3-(1,3-benzothiazol-2-ylamino)benzenesulfonamide (PubChem CID 29067972) has the molecular formula C13H11N3O2S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-ylamino)benzenesulfonamide
PubChem CID29067972
Molecular FormulaC13H11N3O2S2
Molecular Weight305.38 g/mol
Exact Mass305.03
IUPAC Name3-(1,3-benzothiazol-2-ylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(Nc2nc3ccccc3s2)c1
InChIInChI=1S/C13H11N3O2S2/c14-20(17,18)10-5-3-4-9(8-10)15-13-16-11-6-1-2-7-12(11)19-13/h1-8H,(H,15,16)(H2,14,17,18)
InChIKeyKIHVZFVMLXUQAE-UHFFFAOYSA-N
XLogP2.69
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,3-benzothiazol-2-ylamino)benzamide
CID 103602868
N-naphthalen-2-yl-1,3-benzothiazol-2-amine
CID 54164580
4-[(6-methyl-1,3-benzothiazol-2-yl)amino]benzenesulfonamide
CID 79126584
2-[(4-methylsulfanyl-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazole-6-sulfonamide
CID 7512999
4-(1,3-benzothiazol-2-ylamino)-2-fluorophenol;hydrochloride
CID 142733952
3-[[3-(3-sulfamoylanilino)-1H-pyrazol-5-yl]amino]benzenesulfonamide
CID 135063681
2-(benzenesulfonyl)-1-(1,3-benzothiazol-2-yl)guanidine
CID 155815563
N-[4-[[4-(1,3-benzothiazol-2-ylamino)phenyl]methyl]phenyl]-1,3-benzothiazol-2-amine
CID 14688876
6-(1,3-benzothiazol-2-ylamino)chromen-2-one
CID 25023615
N-[2-[3-(1,3-benzothiazol-2-ylamino)anilino]-2-oxoethyl]-2-phenylacetamide
CID 51125990
1-(1,3-benzothiazol-2-yl)-3-[(4-sulfamoylphenyl)methyl]urea
CID 41364793
N-phenyl-1,3-benzothiazol-2-amine;1H-pyrazole-5-carboxamide
CID 174676859

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-ylamino)benzenesulfonamide?
The IUPAC name of 3-(1,3-benzothiazol-2-ylamino)benzenesulfonamide (CID 29067972) is 3-(1,3-benzothiazol-2-ylamino)benzenesulfonamide.
What is the SMILES notation for 3-(1,3-benzothiazol-2-ylamino)benzenesulfonamide?
The canonical SMILES for 3-(1,3-benzothiazol-2-ylamino)benzenesulfonamide is NS(=O)(=O)c1cccc(Nc2nc3ccccc3s2)c1.
What is the InChIKey of 3-(1,3-benzothiazol-2-ylamino)benzenesulfonamide?
The InChIKey is KIHVZFVMLXUQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S2/c14-20(17,18)10-5-3-4-9(8-10)15-13-16-11-6-1-2-7-12(11)19-13/h1-8H,(H,15,16)(H2,14,17,18).
What are the key properties of 3-(1,3-benzothiazol-2-ylamino)benzenesulfonamide?
3-(1,3-benzothiazol-2-ylamino)benzenesulfonamide has a molecular weight of 305.38 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-ylamino)benzenesulfonamide is sourced from PubChem (CID 29067972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).