N,N-dimethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamide

C15H14N2O3S2 — CID 5040456

IUPACN,N-dimethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(-n2sc3ccccc3c2=O)c1
InChIInChI=1S/C15H14N2O3S2/c1-16(2)22(19,20)12-7-5-6-11(10-12)17-15(18)13-8-3-4-9-14(13)21-17/h3-10H,1-2H3
InChIKeySHVMSYDTOYCGDZ-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.30
Rot. Bonds3

About N,N-dimethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamide

N,N-dimethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamide (PubChem CID 5040456) has the molecular formula C15H14N2O3S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N,N-dimethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamide
PubChem CID5040456
Molecular FormulaC15H14N2O3S2
Molecular Weight334.42 g/mol
Exact Mass334.04
IUPAC NameN,N-dimethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(-n2sc3ccccc3c2=O)c1
InChIInChI=1S/C15H14N2O3S2/c1-16(2)22(19,20)12-7-5-6-11(10-12)17-15(18)13-8-3-4-9-14(13)21-17/h3-10H,1-2H3
InChIKeySHVMSYDTOYCGDZ-UHFFFAOYSA-N
XLogP2.30
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamide?
The IUPAC name of N,N-dimethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamide (CID 5040456) is N,N-dimethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamide is CN(C)S(=O)(=O)c1cccc(-n2sc3ccccc3c2=O)c1.
What is the InChIKey of N,N-dimethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamide?
The InChIKey is SHVMSYDTOYCGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S2/c1-16(2)22(19,20)12-7-5-6-11(10-12)17-15(18)13-8-3-4-9-14(13)21-17/h3-10H,1-2H3.
What are the key properties of N,N-dimethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamide?
N,N-dimethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamide has a molecular weight of 334.42 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 5040456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).