N-(1,3-benzothiazol-2-yl)-2-bromo-5-(cyclopropylsulfamoyl)benzamide

C17H14BrN3O3S2 — CID 35998702

IUPACN-(1,3-benzothiazol-2-yl)-2-bromo-5-(cyclopropylsulfamoyl)benzamide
SMILESO=C(Nc1nc2ccccc2s1)c1cc(S(=O)(=O)NC2CC2)ccc1Br
InChIInChI=1S/C17H14BrN3O3S2/c18-13-8-7-11(26(23,24)21-10-5-6-10)9-12(13)16(22)20-17-19-14-3-1-2-4-15(14)25-17/h1-4,7-10,21H,5-6H2,(H,19,20,22)
InChIKeyFIYBVZWFFHSQFS-UHFFFAOYSA-N
MW452.36 g/mol
LogP3.75
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-2-bromo-5-(cyclopropylsulfamoyl)benzamide

N-(1,3-benzothiazol-2-yl)-2-bromo-5-(cyclopropylsulfamoyl)benzamide (PubChem CID 35998702) has the molecular formula C17H14BrN3O3S2 and a molecular weight of 452.36 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-bromo-5-(cyclopropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-bromo-5-(cyclopropylsulfamoyl)benzamide
PubChem CID35998702
Molecular FormulaC17H14BrN3O3S2
Molecular Weight452.36 g/mol
Exact Mass450.97
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-bromo-5-(cyclopropylsulfamoyl)benzamide
SMILESO=C(Nc1nc2ccccc2s1)c1cc(S(=O)(=O)NC2CC2)ccc1Br
InChIInChI=1S/C17H14BrN3O3S2/c18-13-8-7-11(26(23,24)21-10-5-6-10)9-12(13)16(22)20-17-19-14-3-1-2-4-15(14)25-17/h1-4,7-10,21H,5-6H2,(H,19,20,22)
InChIKeyFIYBVZWFFHSQFS-UHFFFAOYSA-N
XLogP3.75
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.36
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-4-(cyclopropylsulfamoyl)benzamide
CID 35998693
2-bromo-5-(cyclopropylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29370582
2-bromo-5-(cyclopropylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide
CID 24536619
2-bromo-5-(cyclopropylsulfamoyl)benzoate
CID 7128950
4-(cyclopropylsulfamoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 35983360
N-(1,3-benzothiazol-2-yl)-5-bromo-2,3,4-trimethylbenzamide
CID 23804633
2-bromo-5-(tert-butylsulfamoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 32935188
2-bromo-5-(cyclopropylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26716297
2-amino-N-(1,3-benzothiazol-2-yl)benzamide
CID 828314
5-(cyclopropylsulfamoyl)-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 35804827
2-bromo-5-(cyclopropylsulfamoyl)-N-[4-(difluoromethoxy)phenyl]benzamide
CID 34274025
2-bromo-5-(cyclopropylsulfamoyl)-N-(2-phenylsulfanylethyl)benzamide
CID 26444801

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-bromo-5-(cyclopropylsulfamoyl)benzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-bromo-5-(cyclopropylsulfamoyl)benzamide (CID 35998702) is N-(1,3-benzothiazol-2-yl)-2-bromo-5-(cyclopropylsulfamoyl)benzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-bromo-5-(cyclopropylsulfamoyl)benzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-bromo-5-(cyclopropylsulfamoyl)benzamide is O=C(Nc1nc2ccccc2s1)c1cc(S(=O)(=O)NC2CC2)ccc1Br.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-bromo-5-(cyclopropylsulfamoyl)benzamide?
The InChIKey is FIYBVZWFFHSQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O3S2/c18-13-8-7-11(26(23,24)21-10-5-6-10)9-12(13)16(22)20-17-19-14-3-1-2-4-15(14)25-17/h1-4,7-10,21H,5-6H2,(H,19,20,22).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-bromo-5-(cyclopropylsulfamoyl)benzamide?
N-(1,3-benzothiazol-2-yl)-2-bromo-5-(cyclopropylsulfamoyl)benzamide has a molecular weight of 452.36 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-bromo-5-(cyclopropylsulfamoyl)benzamide is sourced from PubChem (CID 35998702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).