N-(4-chloro-1,3-benzothiazol-7-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide

C23H18ClN3O3S2 — CID 26773576

IUPACN-(4-chloro-1,3-benzothiazol-7-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide
SMILESO=C(Nc1ccc(Cl)c2ncsc12)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1
InChIInChI=1S/C23H18ClN3O3S2/c24-19-9-10-20(22-21(19)25-14-31-22)26-23(28)16-5-7-18(8-6-16)32(29,30)27-12-11-15-3-1-2-4-17(15)13-27/h1-10,14H,11-13H2,(H,26,28)
InChIKeyQXDDURUFROICIW-UHFFFAOYSA-N
MW484.00 g/mol
LogP4.95
Rot. Bonds4

About N-(4-chloro-1,3-benzothiazol-7-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide

N-(4-chloro-1,3-benzothiazol-7-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide (PubChem CID 26773576) has the molecular formula C23H18ClN3O3S2 and a molecular weight of 484.00 g/mol. Its IUPAC name is N-(4-chloro-1,3-benzothiazol-7-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide.

Molecular Properties

Compound NameN-(4-chloro-1,3-benzothiazol-7-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide
PubChem CID26773576
Molecular FormulaC23H18ClN3O3S2
Molecular Weight484.00 g/mol
Exact Mass483.05
IUPAC NameN-(4-chloro-1,3-benzothiazol-7-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide
SMILESO=C(Nc1ccc(Cl)c2ncsc12)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1
InChIInChI=1S/C23H18ClN3O3S2/c24-19-9-10-20(22-21(19)25-14-31-22)26-23(28)16-5-7-18(8-6-16)32(29,30)27-12-11-15-3-1-2-4-17(15)13-27/h1-10,14H,11-13H2,(H,26,28)
InChIKeyQXDDURUFROICIW-UHFFFAOYSA-N
XLogP4.95
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.00
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-chloro-1,3-benzothiazol-7-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide
CID 3277100
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(9,10-dioxoanthracen-1-yl)benzamide
CID 3497381
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 4067307
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide
CID 4161296
2-chloro-N-(4-chloro-2-fluorophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide
CID 16552954
2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-N,4,5-trimethylthiophene-3-carboxamide
CID 18575159
2-chloro-N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]benzamide
CID 1087744
3-chloro-N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-fluorophenyl]benzamide
CID 18892858
2-chloro-N-(2,4-difluorophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide
CID 16552751
N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3,4-dichlorobenzamide
CID 16930749
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 5176879
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-methoxy-2-nitrophenyl)benzamide
CID 4125363

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1,3-benzothiazol-7-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide?
The IUPAC name of N-(4-chloro-1,3-benzothiazol-7-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide (CID 26773576) is N-(4-chloro-1,3-benzothiazol-7-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide.
What is the SMILES notation for N-(4-chloro-1,3-benzothiazol-7-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide?
The canonical SMILES for N-(4-chloro-1,3-benzothiazol-7-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide is O=C(Nc1ccc(Cl)c2ncsc12)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1.
What is the InChIKey of N-(4-chloro-1,3-benzothiazol-7-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide?
The InChIKey is QXDDURUFROICIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O3S2/c24-19-9-10-20(22-21(19)25-14-31-22)26-23(28)16-5-7-18(8-6-16)32(29,30)27-12-11-15-3-1-2-4-17(15)13-27/h1-10,14H,11-13H2,(H,26,28).
What are the key properties of N-(4-chloro-1,3-benzothiazol-7-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide?
N-(4-chloro-1,3-benzothiazol-7-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide has a molecular weight of 484.00 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1,3-benzothiazol-7-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide is sourced from PubChem (CID 26773576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).