N-(3-chloro-4-fluorophenyl)-2-cyclopropyl-1,1-dioxo-3H-1,2-benzothiazole-4-carboxamide

C17H14ClFN2O3S — CID 142433558

IUPACN-(3-chloro-4-fluorophenyl)-2-cyclopropyl-1,1-dioxo-3H-1,2-benzothiazole-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cccc2c1CN(C1CC1)S2(=O)=O
InChIInChI=1S/C17H14ClFN2O3S/c18-14-8-10(4-7-15(14)19)20-17(22)12-2-1-3-16-13(12)9-21(11-5-6-11)25(16,23)24/h1-4,7-8,11H,5-6,9H2,(H,20,22)
InChIKeyRJADRPXJIQQTMB-UHFFFAOYSA-N
MW380.83 g/mol
LogP3.40
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-2-cyclopropyl-1,1-dioxo-3H-1,2-benzothiazole-4-carboxamide

N-(3-chloro-4-fluorophenyl)-2-cyclopropyl-1,1-dioxo-3H-1,2-benzothiazole-4-carboxamide (PubChem CID 142433558) has the molecular formula C17H14ClFN2O3S and a molecular weight of 380.83 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-cyclopropyl-1,1-dioxo-3H-1,2-benzothiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-cyclopropyl-1,1-dioxo-3H-1,2-benzothiazole-4-carboxamide
PubChem CID142433558
Molecular FormulaC17H14ClFN2O3S
Molecular Weight380.83 g/mol
Exact Mass380.04
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-cyclopropyl-1,1-dioxo-3H-1,2-benzothiazole-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cccc2c1CN(C1CC1)S2(=O)=O
InChIInChI=1S/C17H14ClFN2O3S/c18-14-8-10(4-7-15(14)19)20-17(22)12-2-1-3-16-13(12)9-21(11-5-6-11)25(16,23)24/h1-4,7-8,11H,5-6,9H2,(H,20,22)
InChIKeyRJADRPXJIQQTMB-UHFFFAOYSA-N
XLogP3.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.83
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-cyclopropyl-1,1-dioxo-3H-1,2-benzothiazole-4-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-cyclopropyl-1,1-dioxo-3H-1,2-benzothiazole-4-carboxamide (CID 142433558) is N-(3-chloro-4-fluorophenyl)-2-cyclopropyl-1,1-dioxo-3H-1,2-benzothiazole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-cyclopropyl-1,1-dioxo-3H-1,2-benzothiazole-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-cyclopropyl-1,1-dioxo-3H-1,2-benzothiazole-4-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1cccc2c1CN(C1CC1)S2(=O)=O.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-cyclopropyl-1,1-dioxo-3H-1,2-benzothiazole-4-carboxamide?
The InChIKey is RJADRPXJIQQTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O3S/c18-14-8-10(4-7-15(14)19)20-17(22)12-2-1-3-16-13(12)9-21(11-5-6-11)25(16,23)24/h1-4,7-8,11H,5-6,9H2,(H,20,22).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-cyclopropyl-1,1-dioxo-3H-1,2-benzothiazole-4-carboxamide?
N-(3-chloro-4-fluorophenyl)-2-cyclopropyl-1,1-dioxo-3H-1,2-benzothiazole-4-carboxamide has a molecular weight of 380.83 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-cyclopropyl-1,1-dioxo-3H-1,2-benzothiazole-4-carboxamide is sourced from PubChem (CID 142433558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).