3-[(4-bromophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide

C18H17BrN4O3S2 — CID 34111798

IUPAC3-[(4-bromophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCc1nnc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(Br)cc3)c2)s1
InChIInChI=1S/C18H17BrN4O3S2/c1-2-4-16-21-22-18(27-16)20-17(24)12-5-3-6-14(11-12)23-28(25,26)15-9-7-13(19)8-10-15/h3,5-11,23H,2,4H2,1H3,(H,20,22,24)
InChIKeyXHKNKYQLBUTURR-UHFFFAOYSA-N
MW481.40 g/mol
LogP4.31
Rot. Bonds7

About 3-[(4-bromophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide

3-[(4-bromophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 34111798) has the molecular formula C18H17BrN4O3S2 and a molecular weight of 481.40 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID34111798
Molecular FormulaC18H17BrN4O3S2
Molecular Weight481.40 g/mol
Exact Mass479.99
IUPAC Name3-[(4-bromophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCc1nnc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(Br)cc3)c2)s1
InChIInChI=1S/C18H17BrN4O3S2/c1-2-4-16-21-22-18(27-16)20-17(24)12-5-3-6-14(11-12)23-28(25,26)15-9-7-13(19)8-10-15/h3,5-11,23H,2,4H2,1H3,(H,20,22,24)
InChIKeyXHKNKYQLBUTURR-UHFFFAOYSA-N
XLogP4.31
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.40
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(methanesulfonamido)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 34111874
3-[(3,4-dichlorophenyl)sulfonylamino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 29410650
5-bromo-N-[3-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]furan-2-carboxamide
CID 55774014
3-bromo-N-[2-[5-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide
CID 17193876
3-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)benzamide
CID 26538067
N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 677143
N-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 1287289
2-[(4-bromophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
CID 50740566
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methylsulfonylbenzamide
CID 26197121
3-[(4-bromophenyl)sulfonylamino]-N-(3-methyl-2-pyridinyl)benzamide
CID 35033473
N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 155967978
N-(3-bromophenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 1402591

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide (CID 34111798) is 3-[(4-bromophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide is CCCc1nnc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(Br)cc3)c2)s1.
What is the InChIKey of 3-[(4-bromophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is XHKNKYQLBUTURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4O3S2/c1-2-4-16-21-22-18(27-16)20-17(24)12-5-3-6-14(11-12)23-28(25,26)15-9-7-13(19)8-10-15/h3,5-11,23H,2,4H2,1H3,(H,20,22,24).
What are the key properties of 3-[(4-bromophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
3-[(4-bromophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 481.40 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 34111798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).