2-bromo-5-(cyclopropylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide

C12H11BrN4O3S2 — CID 29370582

IUPAC2-bromo-5-(cyclopropylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nncs1)c1cc(S(=O)(=O)NC2CC2)ccc1Br
InChIInChI=1S/C12H11BrN4O3S2/c13-10-4-3-8(22(19,20)17-7-1-2-7)5-9(10)11(18)15-12-16-14-6-21-12/h3-7,17H,1-2H2,(H,15,16,18)
InChIKeyUWCCABJZIAYKBE-UHFFFAOYSA-N
MW403.28 g/mol
LogP1.99
Rot. Bonds5

About 2-bromo-5-(cyclopropylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide

2-bromo-5-(cyclopropylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 29370582) has the molecular formula C12H11BrN4O3S2 and a molecular weight of 403.28 g/mol. Its IUPAC name is 2-bromo-5-(cyclopropylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-bromo-5-(cyclopropylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID29370582
Molecular FormulaC12H11BrN4O3S2
Molecular Weight403.28 g/mol
Exact Mass401.95
IUPAC Name2-bromo-5-(cyclopropylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nncs1)c1cc(S(=O)(=O)NC2CC2)ccc1Br
InChIInChI=1S/C12H11BrN4O3S2/c13-10-4-3-8(22(19,20)17-7-1-2-7)5-9(10)11(18)15-12-16-14-6-21-12/h3-7,17H,1-2H2,(H,15,16,18)
InChIKeyUWCCABJZIAYKBE-UHFFFAOYSA-N
XLogP1.99
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.28
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-bromo-5-(cyclopropylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide
CID 24536619
N-(1,3-benzothiazol-2-yl)-2-bromo-5-(cyclopropylsulfamoyl)benzamide
CID 35998702
2-bromo-5-(cyclopropylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 30684295
2-bromo-5-(cyclopropylsulfamoyl)benzoate
CID 7128950
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-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 27755032
2-bromo-5-[(4-methylcyclohexyl)sulfamoyl]benzoic acid
CID 43216879
2-bromo-5-(cyclopropylsulfamoyl)-N-[4-(dimethylamino)butan-2-yl]benzamide
CID 86945813
2-bromo-5-(cyclopropylsulfamoyl)-N-(furan-2-ylmethyl)benzamide
CID 9401625

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(cyclopropylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2-bromo-5-(cyclopropylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 29370582) is 2-bromo-5-(cyclopropylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2-bromo-5-(cyclopropylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2-bromo-5-(cyclopropylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide is O=C(Nc1nncs1)c1cc(S(=O)(=O)NC2CC2)ccc1Br.
What is the InChIKey of 2-bromo-5-(cyclopropylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is UWCCABJZIAYKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4O3S2/c13-10-4-3-8(22(19,20)17-7-1-2-7)5-9(10)11(18)15-12-16-14-6-21-12/h3-7,17H,1-2H2,(H,15,16,18).
What are the key properties of 2-bromo-5-(cyclopropylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide?
2-bromo-5-(cyclopropylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 403.28 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(cyclopropylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 29370582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).