N-(1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide

C18H17N3O3S2 — CID 1164179

IUPACN-(1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1nc2ccccc2s1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C18H17N3O3S2/c22-17(20-18-19-15-5-1-2-6-16(15)25-18)13-7-9-14(10-8-13)26(23,24)21-11-3-4-12-21/h1-2,5-10H,3-4,11-12H2,(H,19,20,22)
InChIKeyNHRMROBVFHFIQS-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.33
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide

N-(1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 1164179) has the molecular formula C18H17N3O3S2 and a molecular weight of 387.49 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID1164179
Molecular FormulaC18H17N3O3S2
Molecular Weight387.49 g/mol
Exact Mass387.07
IUPAC NameN-(1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1nc2ccccc2s1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C18H17N3O3S2/c22-17(20-18-19-15-5-1-2-6-16(15)25-18)13-7-9-14(10-8-13)26(23,24)21-11-3-4-12-21/h1-2,5-10H,3-4,11-12H2,(H,19,20,22)
InChIKeyNHRMROBVFHFIQS-UHFFFAOYSA-N
XLogP3.33
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide 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

Benzamide, 4-amino-N-(benzothiazol-2-yl)-
CID 37560
N-2-Benzothiazolylbenzeneacetamide
CID 591403
N-Benzothiazol-2-yl-benzamide
CID 689669
Benzamide, N-2-benzothiazolyl-4-fluoro-
CID 749175
N-(1,3-Benzothiazol-2-YL)-4-tert-butylbenzamide
CID 722343
N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-5-methylthiophene-2-carboxamide
CID 1225609
N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]thiophene-2-carboxamide
CID 2954087
(S)-(2-(Ethylsulfonyl)phenyl)(4-(6-fluorobenzo[d]thiazol-2-yl)-2-methylpiperazin-1-yl)methanone
CID 132145761
N-(6-Methanesulfonyl-benzothiazol-2-yl)-benzamide
CID 694930
N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 953496
N-(1,3-Benzothiazol-2-YL)-2-fluorobenzamide
CID 717947
2-[(4-Aminobenzoyl)amino]-1,3-benzothiazole-6-carboxamide
CID 712274

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide (CID 1164179) is N-(1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide is O=C(Nc1nc2ccccc2s1)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is NHRMROBVFHFIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S2/c22-17(20-18-19-15-5-1-2-6-16(15)25-18)13-7-9-14(10-8-13)26(23,24)21-11-3-4-12-21/h1-2,5-10H,3-4,11-12H2,(H,19,20,22).
What are the key properties of N-(1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide?
N-(1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 387.49 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 1164179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).