N-(1,3-benzothiazol-2-ylmethyl)-2,4-dichloro-5-(cyclopropylsulfamoyl)-N-methylbenzamide

C19H17Cl2N3O3S2 — CID 55389438

IUPACN-(1,3-benzothiazol-2-ylmethyl)-2,4-dichloro-5-(cyclopropylsulfamoyl)-N-methylbenzamide
SMILESCN(Cc1nc2ccccc2s1)C(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl
InChIInChI=1S/C19H17Cl2N3O3S2/c1-24(10-18-22-15-4-2-3-5-16(15)28-18)19(25)12-8-17(14(21)9-13(12)20)29(26,27)23-11-6-7-11/h2-5,8-9,11,23H,6-7,10H2,1H3
InChIKeyNPCQBPRDPAOZEJ-UHFFFAOYSA-N
MW470.40 g/mol
LogP4.32
Rot. Bonds6

About N-(1,3-benzothiazol-2-ylmethyl)-2,4-dichloro-5-(cyclopropylsulfamoyl)-N-methylbenzamide

N-(1,3-benzothiazol-2-ylmethyl)-2,4-dichloro-5-(cyclopropylsulfamoyl)-N-methylbenzamide (PubChem CID 55389438) has the molecular formula C19H17Cl2N3O3S2 and a molecular weight of 470.40 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-2,4-dichloro-5-(cyclopropylsulfamoyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-2,4-dichloro-5-(cyclopropylsulfamoyl)-N-methylbenzamide
PubChem CID55389438
Molecular FormulaC19H17Cl2N3O3S2
Molecular Weight470.40 g/mol
Exact Mass469.01
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-2,4-dichloro-5-(cyclopropylsulfamoyl)-N-methylbenzamide
SMILESCN(Cc1nc2ccccc2s1)C(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl
InChIInChI=1S/C19H17Cl2N3O3S2/c1-24(10-18-22-15-4-2-3-5-16(15)28-18)19(25)12-8-17(14(21)9-13(12)20)29(26,27)23-11-6-7-11/h2-5,8-9,11,23H,6-7,10H2,1H3
InChIKeyNPCQBPRDPAOZEJ-UHFFFAOYSA-N
XLogP4.32
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.40
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzothiazol-2-ylmethyl)-2,4-dichloro-5-(cyclopropylsulfamoyl)-N-methylbenzamide 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 N-(1,3-benzothiazol-2-ylmethyl)-2,4-dichloro-5-(cyclopropylsulfamoyl)-N-methylbenzamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-2,4-dichloro-5-(cyclopropylsulfamoyl)-N-methylbenzamide (CID 55389438) is N-(1,3-benzothiazol-2-ylmethyl)-2,4-dichloro-5-(cyclopropylsulfamoyl)-N-methylbenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-2,4-dichloro-5-(cyclopropylsulfamoyl)-N-methylbenzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-2,4-dichloro-5-(cyclopropylsulfamoyl)-N-methylbenzamide is CN(Cc1nc2ccccc2s1)C(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-2,4-dichloro-5-(cyclopropylsulfamoyl)-N-methylbenzamide?
The InChIKey is NPCQBPRDPAOZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O3S2/c1-24(10-18-22-15-4-2-3-5-16(15)28-18)19(25)12-8-17(14(21)9-13(12)20)29(26,27)23-11-6-7-11/h2-5,8-9,11,23H,6-7,10H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-2,4-dichloro-5-(cyclopropylsulfamoyl)-N-methylbenzamide?
N-(1,3-benzothiazol-2-ylmethyl)-2,4-dichloro-5-(cyclopropylsulfamoyl)-N-methylbenzamide has a molecular weight of 470.40 g/mol, XLogP of 4.32, 6 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-ylmethyl)-2,4-dichloro-5-(cyclopropylsulfamoyl)-N-methylbenzamide is sourced from PubChem (CID 55389438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).