3-(2-amino-1,3-benzothiazol-4-yl)-6-(3-aminocyclobutyl)sulfonyl-2-(2H-tetrazol-5-yl)benzenesulfonamide

C18H18N8O4S3 — CID 135149502

IUPAC3-(2-amino-1,3-benzothiazol-4-yl)-6-(3-aminocyclobutyl)sulfonyl-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNc1nc2c(-c3ccc(S(=O)(=O)C4CC(N)C4)c(S(N)(=O)=O)c3-c3nn[nH]n3)cccc2s1
InChIInChI=1S/C18H18N8O4S3/c19-8-6-9(7-8)32(27,28)13-5-4-10(11-2-1-3-12-15(11)22-18(20)31-12)14(16(13)33(21,29)30)17-23-25-26-24-17/h1-5,8-9H,6-7,19H2,(H2,20,22)(H2,21,29,30)(H,23,24,25,26)
InChIKeyWGZTYCQKVZDRCB-UHFFFAOYSA-N
MW506.60 g/mol
LogP0.64
Rot. Bonds5

About 3-(2-amino-1,3-benzothiazol-4-yl)-6-(3-aminocyclobutyl)sulfonyl-2-(2H-tetrazol-5-yl)benzenesulfonamide

3-(2-amino-1,3-benzothiazol-4-yl)-6-(3-aminocyclobutyl)sulfonyl-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 135149502) has the molecular formula C18H18N8O4S3 and a molecular weight of 506.60 g/mol. Its IUPAC name is 3-(2-amino-1,3-benzothiazol-4-yl)-6-(3-aminocyclobutyl)sulfonyl-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(2-amino-1,3-benzothiazol-4-yl)-6-(3-aminocyclobutyl)sulfonyl-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID135149502
Molecular FormulaC18H18N8O4S3
Molecular Weight506.60 g/mol
Exact Mass506.06
IUPAC Name3-(2-amino-1,3-benzothiazol-4-yl)-6-(3-aminocyclobutyl)sulfonyl-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNc1nc2c(-c3ccc(S(=O)(=O)C4CC(N)C4)c(S(N)(=O)=O)c3-c3nn[nH]n3)cccc2s1
InChIInChI=1S/C18H18N8O4S3/c19-8-6-9(7-8)32(27,28)13-5-4-10(11-2-1-3-12-15(11)22-18(20)31-12)14(16(13)33(21,29)30)17-23-25-26-24-17/h1-5,8-9H,6-7,19H2,(H2,20,22)(H2,21,29,30)(H,23,24,25,26)
InChIKeyWGZTYCQKVZDRCB-UHFFFAOYSA-N
XLogP0.64
TPSA213.69 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.60
LogP ≤ 50.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 3-(2-amino-1,3-benzothiazol-4-yl)-6-(3-aminocyclobutyl)sulfonyl-2-(2H-tetrazol-5-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1,3-benzothiazol-4-yl)-6-(3-aminocyclobutyl)sulfonyl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-(2-amino-1,3-benzothiazol-4-yl)-6-(3-aminocyclobutyl)sulfonyl-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 135149502) is 3-(2-amino-1,3-benzothiazol-4-yl)-6-(3-aminocyclobutyl)sulfonyl-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-(2-amino-1,3-benzothiazol-4-yl)-6-(3-aminocyclobutyl)sulfonyl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-(2-amino-1,3-benzothiazol-4-yl)-6-(3-aminocyclobutyl)sulfonyl-2-(2H-tetrazol-5-yl)benzenesulfonamide is Nc1nc2c(-c3ccc(S(=O)(=O)C4CC(N)C4)c(S(N)(=O)=O)c3-c3nn[nH]n3)cccc2s1.
What is the InChIKey of 3-(2-amino-1,3-benzothiazol-4-yl)-6-(3-aminocyclobutyl)sulfonyl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is WGZTYCQKVZDRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8O4S3/c19-8-6-9(7-8)32(27,28)13-5-4-10(11-2-1-3-12-15(11)22-18(20)31-12)14(16(13)33(21,29)30)17-23-25-26-24-17/h1-5,8-9H,6-7,19H2,(H2,20,22)(H2,21,29,30)(H,23,24,25,26).
What are the key properties of 3-(2-amino-1,3-benzothiazol-4-yl)-6-(3-aminocyclobutyl)sulfonyl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
3-(2-amino-1,3-benzothiazol-4-yl)-6-(3-aminocyclobutyl)sulfonyl-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 506.60 g/mol, XLogP of 0.64, 5 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1,3-benzothiazol-4-yl)-6-(3-aminocyclobutyl)sulfonyl-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 135149502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).