N-tert-butyl-4,6-dimethoxy-N-methyl-1,3-benzothiazole-2-sulfonamide

C14H20N2O4S2 — CID 175547377

IUPACN-tert-butyl-4,6-dimethoxy-N-methyl-1,3-benzothiazole-2-sulfonamide
SMILESCOc1cc(OC)c2nc(S(=O)(=O)N(C)C(C)(C)C)sc2c1
InChIInChI=1S/C14H20N2O4S2/c1-14(2,3)16(4)22(17,18)13-15-12-10(20-6)7-9(19-5)8-11(12)21-13/h7-8H,1-6H3
InChIKeyVVVMDWHFVRDCGW-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.73
Rot. Bonds4

About N-tert-butyl-4,6-dimethoxy-N-methyl-1,3-benzothiazole-2-sulfonamide

N-tert-butyl-4,6-dimethoxy-N-methyl-1,3-benzothiazole-2-sulfonamide (PubChem CID 175547377) has the molecular formula C14H20N2O4S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-tert-butyl-4,6-dimethoxy-N-methyl-1,3-benzothiazole-2-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-4,6-dimethoxy-N-methyl-1,3-benzothiazole-2-sulfonamide
PubChem CID175547377
Molecular FormulaC14H20N2O4S2
Molecular Weight344.46 g/mol
Exact Mass344.09
IUPAC NameN-tert-butyl-4,6-dimethoxy-N-methyl-1,3-benzothiazole-2-sulfonamide
SMILESCOc1cc(OC)c2nc(S(=O)(=O)N(C)C(C)(C)C)sc2c1
InChIInChI=1S/C14H20N2O4S2/c1-14(2,3)16(4)22(17,18)13-15-12-10(20-6)7-9(19-5)8-11(12)21-13/h7-8H,1-6H3
InChIKeyVVVMDWHFVRDCGW-UHFFFAOYSA-N
XLogP2.73
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4,6-dimethoxy-N-methyl-1,3-benzothiazole-2-sulfonamide?
The IUPAC name of N-tert-butyl-4,6-dimethoxy-N-methyl-1,3-benzothiazole-2-sulfonamide (CID 175547377) is N-tert-butyl-4,6-dimethoxy-N-methyl-1,3-benzothiazole-2-sulfonamide.
What is the SMILES notation for N-tert-butyl-4,6-dimethoxy-N-methyl-1,3-benzothiazole-2-sulfonamide?
The canonical SMILES for N-tert-butyl-4,6-dimethoxy-N-methyl-1,3-benzothiazole-2-sulfonamide is COc1cc(OC)c2nc(S(=O)(=O)N(C)C(C)(C)C)sc2c1.
What is the InChIKey of N-tert-butyl-4,6-dimethoxy-N-methyl-1,3-benzothiazole-2-sulfonamide?
The InChIKey is VVVMDWHFVRDCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S2/c1-14(2,3)16(4)22(17,18)13-15-12-10(20-6)7-9(19-5)8-11(12)21-13/h7-8H,1-6H3.
What are the key properties of N-tert-butyl-4,6-dimethoxy-N-methyl-1,3-benzothiazole-2-sulfonamide?
N-tert-butyl-4,6-dimethoxy-N-methyl-1,3-benzothiazole-2-sulfonamide has a molecular weight of 344.46 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4,6-dimethoxy-N-methyl-1,3-benzothiazole-2-sulfonamide is sourced from PubChem (CID 175547377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).