4-chloro-N,N-dimethyl-2,1,3-benzoxadiazole-7-sulfonamide

C8H8ClN3O3S — CID 15388469

IUPAC4-chloro-N,N-dimethyl-2,1,3-benzoxadiazole-7-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c2nonc12
InChIInChI=1S/C8H8ClN3O3S/c1-12(2)16(13,14)6-4-3-5(9)7-8(6)11-15-10-7/h3-4H,1-2H3
InChIKeyBLWSVDDDPQZGIH-UHFFFAOYSA-N
MW261.69 g/mol
LogP1.13
Rot. Bonds2

About 4-chloro-N,N-dimethyl-2,1,3-benzoxadiazole-7-sulfonamide

4-chloro-N,N-dimethyl-2,1,3-benzoxadiazole-7-sulfonamide (PubChem CID 15388469) has the molecular formula C8H8ClN3O3S and a molecular weight of 261.69 g/mol. Its IUPAC name is 4-chloro-N,N-dimethyl-2,1,3-benzoxadiazole-7-sulfonamide.

Molecular Properties

Compound Name4-chloro-N,N-dimethyl-2,1,3-benzoxadiazole-7-sulfonamide
PubChem CID15388469
Molecular FormulaC8H8ClN3O3S
Molecular Weight261.69 g/mol
Exact Mass261.00
IUPAC Name4-chloro-N,N-dimethyl-2,1,3-benzoxadiazole-7-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c2nonc12
InChIInChI=1S/C8H8ClN3O3S/c1-12(2)16(13,14)6-4-3-5(9)7-8(6)11-15-10-7/h3-4H,1-2H3
InChIKeyBLWSVDDDPQZGIH-UHFFFAOYSA-N
XLogP1.13
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.69
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dimethyl-2,1,3-benzoxadiazole-7-sulfonamide?
The IUPAC name of 4-chloro-N,N-dimethyl-2,1,3-benzoxadiazole-7-sulfonamide (CID 15388469) is 4-chloro-N,N-dimethyl-2,1,3-benzoxadiazole-7-sulfonamide.
What is the SMILES notation for 4-chloro-N,N-dimethyl-2,1,3-benzoxadiazole-7-sulfonamide?
The canonical SMILES for 4-chloro-N,N-dimethyl-2,1,3-benzoxadiazole-7-sulfonamide is CN(C)S(=O)(=O)c1ccc(Cl)c2nonc12.
What is the InChIKey of 4-chloro-N,N-dimethyl-2,1,3-benzoxadiazole-7-sulfonamide?
The InChIKey is BLWSVDDDPQZGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O3S/c1-12(2)16(13,14)6-4-3-5(9)7-8(6)11-15-10-7/h3-4H,1-2H3.
What are the key properties of 4-chloro-N,N-dimethyl-2,1,3-benzoxadiazole-7-sulfonamide?
4-chloro-N,N-dimethyl-2,1,3-benzoxadiazole-7-sulfonamide has a molecular weight of 261.69 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dimethyl-2,1,3-benzoxadiazole-7-sulfonamide is sourced from PubChem (CID 15388469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).