N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-methoxybenzamide

C17H17N3O4S2 — CID 3660140

IUPACN-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1nc2ccc(S(=O)(=O)N(C)C)cc2s1
InChIInChI=1S/C17H17N3O4S2/c1-20(2)26(22,23)11-8-9-13-15(10-11)25-17(18-13)19-16(21)12-6-4-5-7-14(12)24-3/h4-10H,1-3H3,(H,18,19,21)
InChIKeyRYJWSYDPFQNHMF-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.81
Rot. Bonds5

About N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-methoxybenzamide

N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-methoxybenzamide (PubChem CID 3660140) has the molecular formula C17H17N3O4S2 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-methoxybenzamide
PubChem CID3660140
Molecular FormulaC17H17N3O4S2
Molecular Weight391.47 g/mol
Exact Mass391.07
IUPAC NameN-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1nc2ccc(S(=O)(=O)N(C)C)cc2s1
InChIInChI=1S/C17H17N3O4S2/c1-20(2)26(22,23)11-8-9-13-15(10-11)25-17(18-13)19-16(21)12-6-4-5-7-14(12)24-3/h4-10H,1-3H3,(H,18,19,21)
InChIKeyRYJWSYDPFQNHMF-UHFFFAOYSA-N
XLogP2.81
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2-methoxybenzamide
CID 5108895
N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-4-phenylbenzamide
CID 5070509
N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,3-dimethoxybenzamide
CID 3622870
4-(dimethylsulfamoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 1356009
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide
CID 4062389
N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]propanamide
CID 41232987
5-bromo-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]thiophene-2-carboxamide
CID 20932194
N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide
CID 4575833
2-bromo-N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 5007269
N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-3-nitrobenzamide
CID 4075249
5-chloro-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-nitrobenzamide
CID 3629778
4-(diethylsulfamoyl)-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 20932189

Frequently Asked Questions

What is the IUPAC name of N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-methoxybenzamide?
The IUPAC name of N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-methoxybenzamide (CID 3660140) is N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-methoxybenzamide?
The canonical SMILES for N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1nc2ccc(S(=O)(=O)N(C)C)cc2s1.
What is the InChIKey of N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-methoxybenzamide?
The InChIKey is RYJWSYDPFQNHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S2/c1-20(2)26(22,23)11-8-9-13-15(10-11)25-17(18-13)19-16(21)12-6-4-5-7-14(12)24-3/h4-10H,1-3H3,(H,18,19,21).
What are the key properties of N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-methoxybenzamide?
N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-methoxybenzamide has a molecular weight of 391.47 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-methoxybenzamide is sourced from PubChem (CID 3660140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).