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

C13H12BrN3O3S2 — CID 24536619

IUPAC2-bromo-5-(cyclopropylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1cc(S(=O)(=O)NC2CC2)ccc1Br
InChIInChI=1S/C13H12BrN3O3S2/c14-11-4-3-9(22(19,20)17-8-1-2-8)7-10(11)12(18)16-13-15-5-6-21-13/h3-8,17H,1-2H2,(H,15,16,18)
InChIKeyVOIHEPGUUGACCE-UHFFFAOYSA-N
MW402.30 g/mol
LogP2.60
Rot. Bonds5

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

2-bromo-5-(cyclopropylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 24536619) has the molecular formula C13H12BrN3O3S2 and a molecular weight of 402.30 g/mol. Its IUPAC name is 2-bromo-5-(cyclopropylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-bromo-5-(cyclopropylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide
PubChem CID24536619
Molecular FormulaC13H12BrN3O3S2
Molecular Weight402.30 g/mol
Exact Mass400.95
IUPAC Name2-bromo-5-(cyclopropylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1cc(S(=O)(=O)NC2CC2)ccc1Br
InChIInChI=1S/C13H12BrN3O3S2/c14-11-4-3-9(22(19,20)17-8-1-2-8)7-10(11)12(18)16-13-15-5-6-21-13/h3-8,17H,1-2H2,(H,15,16,18)
InChIKeyVOIHEPGUUGACCE-UHFFFAOYSA-N
XLogP2.60
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.30
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-5-(cyclopropylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29370582
N-(1,3-benzothiazol-2-yl)-2-bromo-5-(cyclopropylsulfamoyl)benzamide
CID 35998702
3-(cyclopentylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide
CID 166188646
2-bromo-5-(cyclopropylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 30684295
2-bromo-5-(cyclopropylsulfamoyl)benzoate
CID 7128950
2-bromo-5-(cyclopropylsulfamoyl)-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 27755032
2-bromo-5-[(4-methylcyclohexyl)sulfamoyl]benzoic acid
CID 43216879
3-(benzamidocarbamoyl)-4-bromo-N-cyclopropylbenzenesulfonamide
CID 27839003
2-bromo-5-(cyclopropylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26716297
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-oxo-2-(propylamino)ethyl]benzamide
CID 24642120

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(cyclopropylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-bromo-5-(cyclopropylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide (CID 24536619) is 2-bromo-5-(cyclopropylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-bromo-5-(cyclopropylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-bromo-5-(cyclopropylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide is O=C(Nc1nccs1)c1cc(S(=O)(=O)NC2CC2)ccc1Br.
What is the InChIKey of 2-bromo-5-(cyclopropylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is VOIHEPGUUGACCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O3S2/c14-11-4-3-9(22(19,20)17-8-1-2-8)7-10(11)12(18)16-13-15-5-6-21-13/h3-8,17H,1-2H2,(H,15,16,18).
What are the key properties of 2-bromo-5-(cyclopropylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide?
2-bromo-5-(cyclopropylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 402.30 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(cyclopropylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 24536619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).