N-[(2-bromophenyl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide

C13H10BrN3O2S2 — CID 61413865

IUPACN-[(2-bromophenyl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide
SMILESO=S(=O)(NCc1ccccc1Br)c1cccc2nsnc12
InChIInChI=1S/C13H10BrN3O2S2/c14-10-5-2-1-4-9(10)8-15-21(18,19)12-7-3-6-11-13(12)17-20-16-11/h1-7,15H,8H2
InChIKeyUSMGSJXICHMLFZ-UHFFFAOYSA-N
MW384.28 g/mol
LogP2.93
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide

N-[(2-bromophenyl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide (PubChem CID 61413865) has the molecular formula C13H10BrN3O2S2 and a molecular weight of 384.28 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide
PubChem CID61413865
Molecular FormulaC13H10BrN3O2S2
Molecular Weight384.28 g/mol
Exact Mass382.94
IUPAC NameN-[(2-bromophenyl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide
SMILESO=S(=O)(NCc1ccccc1Br)c1cccc2nsnc12
InChIInChI=1S/C13H10BrN3O2S2/c14-10-5-2-1-4-9(10)8-15-21(18,19)12-7-3-6-11-13(12)17-20-16-11/h1-7,15H,8H2
InChIKeyUSMGSJXICHMLFZ-UHFFFAOYSA-N
XLogP2.93
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.28
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
CID 25146907
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 71890485
N-[2-(methylamino)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 62657997
N-prop-2-enyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 3109773
N-butyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 3377484
N-(2-aminopropyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 63732959
N-[2-(1H-indol-3-yl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 2823180
N-[[4-(difluoromethoxy)phenyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 43025858
N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 122557372
N-(3-chlorobutyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 65033045
N-[(3,4-diethoxyphenyl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 22206227
4-[(2,1,3-benzothiadiazol-4-ylsulfonylamino)methyl]-N-ethylbenzamide
CID 55905079

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide (CID 61413865) is N-[(2-bromophenyl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide is O=S(=O)(NCc1ccccc1Br)c1cccc2nsnc12.
What is the InChIKey of N-[(2-bromophenyl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide?
The InChIKey is USMGSJXICHMLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O2S2/c14-10-5-2-1-4-9(10)8-15-21(18,19)12-7-3-6-11-13(12)17-20-16-11/h1-7,15H,8H2.
What are the key properties of N-[(2-bromophenyl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide?
N-[(2-bromophenyl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide has a molecular weight of 384.28 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide is sourced from PubChem (CID 61413865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).