N-(1,3-benzothiazol-2-yl)-4-(cyclopropylsulfamoyl)benzamide

C17H15N3O3S2 — CID 35998693

IUPACN-(1,3-benzothiazol-2-yl)-4-(cyclopropylsulfamoyl)benzamide
SMILESO=C(Nc1nc2ccccc2s1)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C17H15N3O3S2/c21-16(19-17-18-14-3-1-2-4-15(14)24-17)11-5-9-13(10-6-11)25(22,23)20-12-7-8-12/h1-6,9-10,12,20H,7-8H2,(H,18,19,21)
InChIKeyXYUPQLQRAUKUAR-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.99
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-4-(cyclopropylsulfamoyl)benzamide

N-(1,3-benzothiazol-2-yl)-4-(cyclopropylsulfamoyl)benzamide (PubChem CID 35998693) has the molecular formula C17H15N3O3S2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-4-(cyclopropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-4-(cyclopropylsulfamoyl)benzamide
PubChem CID35998693
Molecular FormulaC17H15N3O3S2
Molecular Weight373.46 g/mol
Exact Mass373.06
IUPAC NameN-(1,3-benzothiazol-2-yl)-4-(cyclopropylsulfamoyl)benzamide
SMILESO=C(Nc1nc2ccccc2s1)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C17H15N3O3S2/c21-16(19-17-18-14-3-1-2-4-15(14)24-17)11-5-9-13(10-6-11)25(22,23)20-12-7-8-12/h1-6,9-10,12,20H,7-8H2,(H,18,19,21)
InChIKeyXYUPQLQRAUKUAR-UHFFFAOYSA-N
XLogP2.99
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(cyclopropylsulfamoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 35983360
N-(1,3-benzothiazol-2-yl)-2-bromo-5-(cyclopropylsulfamoyl)benzamide
CID 35998702
N-(1,3-benzothiazol-2-yl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 35804492
N-(1,3-benzothiazol-2-yl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 40616224
N-(1,3-benzothiazol-2-yl)-4-(diethylsulfamoyl)benzamide
CID 2677030
N-(1,3-benzothiazol-2-yl)-4-(1,3-dithiolan-2-yl)benzamide
CID 8882679
N-(1,3-benzothiazol-2-yl)-4-(bromomethyl)benzamide
CID 102850815
N-(1,3-benzothiazol-2-yl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide
CID 35993606
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
4-(cyclopropylsulfamoyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 41189388
1-N,4-N-bis(1,3-benzothiazol-2-yl)cyclohexane-1,4-dicarboxamide
CID 171722456
N-(1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
CID 146405947

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-4-(cyclopropylsulfamoyl)benzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-4-(cyclopropylsulfamoyl)benzamide (CID 35998693) is N-(1,3-benzothiazol-2-yl)-4-(cyclopropylsulfamoyl)benzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-4-(cyclopropylsulfamoyl)benzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-4-(cyclopropylsulfamoyl)benzamide is O=C(Nc1nc2ccccc2s1)c1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-4-(cyclopropylsulfamoyl)benzamide?
The InChIKey is XYUPQLQRAUKUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S2/c21-16(19-17-18-14-3-1-2-4-15(14)24-17)11-5-9-13(10-6-11)25(22,23)20-12-7-8-12/h1-6,9-10,12,20H,7-8H2,(H,18,19,21).
What are the key properties of N-(1,3-benzothiazol-2-yl)-4-(cyclopropylsulfamoyl)benzamide?
N-(1,3-benzothiazol-2-yl)-4-(cyclopropylsulfamoyl)benzamide has a molecular weight of 373.46 g/mol, XLogP of 2.99, 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)-4-(cyclopropylsulfamoyl)benzamide is sourced from PubChem (CID 35998693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).