N-(1,3-benzothiazol-2-yl)-2-chloro-5-(dimethylsulfamoyl)-N-ethylbenzamide

C18H18ClN3O3S2 — CID 18193284

IUPACN-(1,3-benzothiazol-2-yl)-2-chloro-5-(dimethylsulfamoyl)-N-ethylbenzamide
SMILESCCN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)c1nc2ccccc2s1
InChIInChI=1S/C18H18ClN3O3S2/c1-4-22(18-20-15-7-5-6-8-16(15)26-18)17(23)13-11-12(9-10-14(13)19)27(24,25)21(2)3/h5-11H,4H2,1-3H3
InChIKeyJODNEBXLPLWELA-UHFFFAOYSA-N
MW423.95 g/mol
LogP3.87
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-2-chloro-5-(dimethylsulfamoyl)-N-ethylbenzamide

N-(1,3-benzothiazol-2-yl)-2-chloro-5-(dimethylsulfamoyl)-N-ethylbenzamide (PubChem CID 18193284) has the molecular formula C18H18ClN3O3S2 and a molecular weight of 423.95 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-chloro-5-(dimethylsulfamoyl)-N-ethylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-chloro-5-(dimethylsulfamoyl)-N-ethylbenzamide
PubChem CID18193284
Molecular FormulaC18H18ClN3O3S2
Molecular Weight423.95 g/mol
Exact Mass423.05
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-chloro-5-(dimethylsulfamoyl)-N-ethylbenzamide
SMILESCCN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)c1nc2ccccc2s1
InChIInChI=1S/C18H18ClN3O3S2/c1-4-22(18-20-15-7-5-6-8-16(15)26-18)17(23)13-11-12(9-10-14(13)19)27(24,25)21(2)3/h5-11H,4H2,1-3H3
InChIKeyJODNEBXLPLWELA-UHFFFAOYSA-N
XLogP3.87
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.95
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-chloro-5-(diethylsulfamoyl)-N-(2-methoxyethyl)benzamide
CID 55545478
N-(1,3-benzothiazol-2-yl)-5-(dimethylsulfamoyl)-N-ethyl-2-morpholin-4-ylbenzamide
CID 16560001
N-(1,3-benzothiazol-2-ylmethyl)-2-chloro-5-(diethylsulfamoyl)-N-methylbenzamide
CID 41440134
N-(1,3-benzothiazol-2-yl)-2-chloro-N-ethyl-4-fluorobenzamide
CID 34189759
2-chloro-5-(dimethylsulfamoyl)-N-ethyl-N-naphthalen-1-ylbenzamide
CID 55614680
2-chloro-5-(dimethylsulfamoyl)-N-ethyl-N-naphthalen-2-ylbenzamide
CID 49338730
N-(1,3-benzothiazol-2-yl)-5-(diethylsulfamoyl)-2-fluoro-N-methylbenzamide
CID 34255200
N-(1,3-benzothiazol-2-yl)-4-(difluoromethylsulfonyl)-N-ethylbenzamide
CID 18193276
N-(1,3-benzothiazol-2-yl)-3,4,5,6-tetrachloro-N-ethylpyridine-2-carboxamide
CID 16559914
N-(1,3-benzothiazol-2-yl)-4,5-dibromo-N-ethylthiophene-2-carboxamide
CID 16559957
N-(1,3-benzothiazol-2-yl)-N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 34189725
N-(1,3-benzothiazol-2-yl)-N-ethyl-2,6-difluorobenzamide
CID 30797487

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-chloro-5-(dimethylsulfamoyl)-N-ethylbenzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-chloro-5-(dimethylsulfamoyl)-N-ethylbenzamide (CID 18193284) is N-(1,3-benzothiazol-2-yl)-2-chloro-5-(dimethylsulfamoyl)-N-ethylbenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-chloro-5-(dimethylsulfamoyl)-N-ethylbenzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-chloro-5-(dimethylsulfamoyl)-N-ethylbenzamide is CCN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-chloro-5-(dimethylsulfamoyl)-N-ethylbenzamide?
The InChIKey is JODNEBXLPLWELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3S2/c1-4-22(18-20-15-7-5-6-8-16(15)26-18)17(23)13-11-12(9-10-14(13)19)27(24,25)21(2)3/h5-11H,4H2,1-3H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-chloro-5-(dimethylsulfamoyl)-N-ethylbenzamide?
N-(1,3-benzothiazol-2-yl)-2-chloro-5-(dimethylsulfamoyl)-N-ethylbenzamide has a molecular weight of 423.95 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-chloro-5-(dimethylsulfamoyl)-N-ethylbenzamide is sourced from PubChem (CID 18193284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).