N-(2-amino-2-hydroxyethyl)-1,3-benzothiazole-2-sulfonamide

C9H11N3O3S2 — CID 19894858

IUPACN-(2-amino-2-hydroxyethyl)-1,3-benzothiazole-2-sulfonamide
SMILESNC(O)CNS(=O)(=O)c1nc2ccccc2s1
InChIInChI=1S/C9H11N3O3S2/c10-8(13)5-11-17(14,15)9-12-6-3-1-2-4-7(6)16-9/h1-4,8,11,13H,5,10H2
InChIKeyGDKDQRNMVQOKTP-UHFFFAOYSA-N
MW273.34 g/mol
LogP-0.15
Rot. Bonds4

About N-(2-amino-2-hydroxyethyl)-1,3-benzothiazole-2-sulfonamide

N-(2-amino-2-hydroxyethyl)-1,3-benzothiazole-2-sulfonamide (PubChem CID 19894858) has the molecular formula C9H11N3O3S2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyethyl)-1,3-benzothiazole-2-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyethyl)-1,3-benzothiazole-2-sulfonamide
PubChem CID19894858
Molecular FormulaC9H11N3O3S2
Molecular Weight273.34 g/mol
Exact Mass273.02
IUPAC NameN-(2-amino-2-hydroxyethyl)-1,3-benzothiazole-2-sulfonamide
SMILESNC(O)CNS(=O)(=O)c1nc2ccccc2s1
InChIInChI=1S/C9H11N3O3S2/c10-8(13)5-11-17(14,15)9-12-6-3-1-2-4-7(6)16-9/h1-4,8,11,13H,5,10H2
InChIKeyGDKDQRNMVQOKTP-UHFFFAOYSA-N
XLogP-0.15
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,3-benzothiazole-2-sulfonohydrazide
CID 163739886
N-phenylmethoxy-1,3-benzothiazole-2-sulfonamide
CID 69015020
N-(diphosphanyl)-1,3-benzothiazole-2-sulfonamide
CID 59552462
(2S)-2-amino-4-(1,3-benzothiazol-2-ylsulfonyl)-4,4-difluorobutanoic acid
CID 166951372
methyl (2R)-3-(1,3-benzothiazol-2-ylsulfonyl)-2-methylpropanoate
CID 101477114
N-piperidin-4-yl-1,3-benzothiazole-2-sulfonamide
CID 71645908
potassium;1,3-benzothiazole-2-sulfonate;hydrate
CID 44726049
ethyl (2R)-2-[[2-(1,3-benzothiazol-2-ylsulfonyl)-2-fluoroethyl]amino]-3-methylbutanoate
CID 44605180
N'-(4-methylphenyl)-1,3-benzothiazole-2-sulfonohydrazide
CID 175368644
2-(1,3-benzothiazol-2-ylsulfonyl)-1-[4-[2-(1,3-benzothiazol-2-ylsulfonyl)acetyl]phenyl]ethanone
CID 3530189
N-[2-(1,3-benzothiazol-2-ylsulfonyl)-2-fluoroethyl]prop-2-en-1-amine
CID 44604973
2-[1,3-benzothiazol-2-ylsulfonyl(dideuterio)methyl]-1,3-benzothiazole
CID 56955628

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyethyl)-1,3-benzothiazole-2-sulfonamide?
The IUPAC name of N-(2-amino-2-hydroxyethyl)-1,3-benzothiazole-2-sulfonamide (CID 19894858) is N-(2-amino-2-hydroxyethyl)-1,3-benzothiazole-2-sulfonamide.
What is the SMILES notation for N-(2-amino-2-hydroxyethyl)-1,3-benzothiazole-2-sulfonamide?
The canonical SMILES for N-(2-amino-2-hydroxyethyl)-1,3-benzothiazole-2-sulfonamide is NC(O)CNS(=O)(=O)c1nc2ccccc2s1.
What is the InChIKey of N-(2-amino-2-hydroxyethyl)-1,3-benzothiazole-2-sulfonamide?
The InChIKey is GDKDQRNMVQOKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3S2/c10-8(13)5-11-17(14,15)9-12-6-3-1-2-4-7(6)16-9/h1-4,8,11,13H,5,10H2.
What are the key properties of N-(2-amino-2-hydroxyethyl)-1,3-benzothiazole-2-sulfonamide?
N-(2-amino-2-hydroxyethyl)-1,3-benzothiazole-2-sulfonamide has a molecular weight of 273.34 g/mol, XLogP of -0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyethyl)-1,3-benzothiazole-2-sulfonamide is sourced from PubChem (CID 19894858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).