N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2,1,3-benzothiadiazole-4-sulfonamide

C16H13ClFN3O2S2 — CID 46633664

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2,1,3-benzothiadiazole-4-sulfonamide
SMILESO=S(=O)(c1cccc2nsnc12)N(Cc1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C16H13ClFN3O2S2/c17-12-3-1-4-13(18)11(12)9-21(10-7-8-10)25(22,23)15-6-2-5-14-16(15)20-24-19-14/h1-6,10H,7-9H2
InChIKeyIWMUXAOCPWRIMF-UHFFFAOYSA-N
MW397.88 g/mol
LogP3.84
Rot. Bonds5

About N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2,1,3-benzothiadiazole-4-sulfonamide

N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2,1,3-benzothiadiazole-4-sulfonamide (PubChem CID 46633664) has the molecular formula C16H13ClFN3O2S2 and a molecular weight of 397.88 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2,1,3-benzothiadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2,1,3-benzothiadiazole-4-sulfonamide
PubChem CID46633664
Molecular FormulaC16H13ClFN3O2S2
Molecular Weight397.88 g/mol
Exact Mass397.01
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2,1,3-benzothiadiazole-4-sulfonamide
SMILESO=S(=O)(c1cccc2nsnc12)N(Cc1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C16H13ClFN3O2S2/c17-12-3-1-4-13(18)11(12)9-21(10-7-8-10)25(22,23)15-6-2-5-14-16(15)20-24-19-14/h1-6,10H,7-9H2
InChIKeyIWMUXAOCPWRIMF-UHFFFAOYSA-N
XLogP3.84
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.88
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2,1,3-benzothiadiazole-4-sulfonamide 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-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2,6-difluorobenzenesulfonamide
CID 38254380
5-bromo-2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyridine-3-sulfonamide
CID 55766385
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4-ethylsulfonylbenzenesulfonamide
CID 55872067
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 35315095
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1-(3-fluorophenyl)methanesulfonamide
CID 56514574
N-(2-methoxyethyl)-N-(thiolan-3-yl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 47027449
N-cyclopropyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35389306
N-(2,3,5,6-tetrafluorophenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 22774605
(2,6-dichlorophenyl)methyl (2R)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanoate
CID 2421040
N-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]-N-methylmethanesulfonamide
CID 48737430
N-cyclopropyl-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43577535
2-[cyclopropyl-(2-fluorophenyl)sulfonylamino]acetic acid
CID 54945752

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2,1,3-benzothiadiazole-4-sulfonamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2,1,3-benzothiadiazole-4-sulfonamide (CID 46633664) is N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2,1,3-benzothiadiazole-4-sulfonamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2,1,3-benzothiadiazole-4-sulfonamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2,1,3-benzothiadiazole-4-sulfonamide is O=S(=O)(c1cccc2nsnc12)N(Cc1c(F)cccc1Cl)C1CC1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2,1,3-benzothiadiazole-4-sulfonamide?
The InChIKey is IWMUXAOCPWRIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O2S2/c17-12-3-1-4-13(18)11(12)9-21(10-7-8-10)25(22,23)15-6-2-5-14-16(15)20-24-19-14/h1-6,10H,7-9H2.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2,1,3-benzothiadiazole-4-sulfonamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2,1,3-benzothiadiazole-4-sulfonamide has a molecular weight of 397.88 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2,1,3-benzothiadiazole-4-sulfonamide is sourced from PubChem (CID 46633664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).