2-[4-(4-bromophenyl)sulfonylphenyl]-4-[(sulfamoylamino)methyl]-1,3-thiazole

C16H14BrN3O4S3 — CID 57340180

IUPAC2-[4-(4-bromophenyl)sulfonylphenyl]-4-[(sulfamoylamino)methyl]-1,3-thiazole
SMILESNS(=O)(=O)NCc1csc(-c2ccc(S(=O)(=O)c3ccc(Br)cc3)cc2)n1
InChIInChI=1S/C16H14BrN3O4S3/c17-12-3-7-15(8-4-12)26(21,22)14-5-1-11(2-6-14)16-20-13(10-25-16)9-19-27(18,23)24/h1-8,10,19H,9H2,(H2,18,23,24)
InChIKeyWGJHLLYVXQRKNA-UHFFFAOYSA-N
MW488.41 g/mol
LogP2.70
Rot. Bonds6

About 2-[4-(4-bromophenyl)sulfonylphenyl]-4-[(sulfamoylamino)methyl]-1,3-thiazole

2-[4-(4-bromophenyl)sulfonylphenyl]-4-[(sulfamoylamino)methyl]-1,3-thiazole (PubChem CID 57340180) has the molecular formula C16H14BrN3O4S3 and a molecular weight of 488.41 g/mol. Its IUPAC name is 2-[4-(4-bromophenyl)sulfonylphenyl]-4-[(sulfamoylamino)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(4-bromophenyl)sulfonylphenyl]-4-[(sulfamoylamino)methyl]-1,3-thiazole
PubChem CID57340180
Molecular FormulaC16H14BrN3O4S3
Molecular Weight488.41 g/mol
Exact Mass486.93
IUPAC Name2-[4-(4-bromophenyl)sulfonylphenyl]-4-[(sulfamoylamino)methyl]-1,3-thiazole
SMILESNS(=O)(=O)NCc1csc(-c2ccc(S(=O)(=O)c3ccc(Br)cc3)cc2)n1
InChIInChI=1S/C16H14BrN3O4S3/c17-12-3-7-15(8-4-12)26(21,22)14-5-1-11(2-6-14)16-20-13(10-25-16)9-19-27(18,23)24/h1-8,10,19H,9H2,(H2,18,23,24)
InChIKeyWGJHLLYVXQRKNA-UHFFFAOYSA-N
XLogP2.70
TPSA119.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.41
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}benzenesulfonamide
CID 2812981
4-[5-(4-Bromo-phenyl)-2-methyl-thiazol-4-yl]-benzenesulfonamide
CID 44271257
2-[4-(Phenylsulfonyl)-Phenyl}-thiazole-4-yl-methyl-sulfamide, 2a
CID 57340178
2-[4-(4-Chlorophenylsulfonyl)-Phenyl}-thiazole-4-yl-methyl-sulfamide, 2b
CID 57340179
2-[4-(4-Bromophenylsulfonyl)-Phenyl}-thiazole-4-yl-methyl-sulfamate, 3c
CID 57340183
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]ethanesulfonamide
CID 5310004
2,5-difluoro-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
CID 7518696
4-bromo-N-(2-(4-methyl-2-phenylthiazol-5-yl)ethyl)benzenesulfonamide
CID 16032024
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanesulfonamide
CID 3242939
N-((2-phenylthiazol-4-yl)methyl)benzenesulfonamide
CID 16012465
N-{2-[2-(3-Fluorophenyl)-1,3-thiazol-4-YL]ethyl}-4-methylbenzene-1-sulfonamide
CID 7216718
2,4-Difluoro-N-{2-[2-(4-fluorophenyl)-1,3-thiazol-4-YL]ethyl}benzene-1-sulfonamide
CID 7522061

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromophenyl)sulfonylphenyl]-4-[(sulfamoylamino)methyl]-1,3-thiazole?
The IUPAC name of 2-[4-(4-bromophenyl)sulfonylphenyl]-4-[(sulfamoylamino)methyl]-1,3-thiazole (CID 57340180) is 2-[4-(4-bromophenyl)sulfonylphenyl]-4-[(sulfamoylamino)methyl]-1,3-thiazole.
What is the SMILES notation for 2-[4-(4-bromophenyl)sulfonylphenyl]-4-[(sulfamoylamino)methyl]-1,3-thiazole?
The canonical SMILES for 2-[4-(4-bromophenyl)sulfonylphenyl]-4-[(sulfamoylamino)methyl]-1,3-thiazole is NS(=O)(=O)NCc1csc(-c2ccc(S(=O)(=O)c3ccc(Br)cc3)cc2)n1.
What is the InChIKey of 2-[4-(4-bromophenyl)sulfonylphenyl]-4-[(sulfamoylamino)methyl]-1,3-thiazole?
The InChIKey is WGJHLLYVXQRKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O4S3/c17-12-3-7-15(8-4-12)26(21,22)14-5-1-11(2-6-14)16-20-13(10-25-16)9-19-27(18,23)24/h1-8,10,19H,9H2,(H2,18,23,24).
What are the key properties of 2-[4-(4-bromophenyl)sulfonylphenyl]-4-[(sulfamoylamino)methyl]-1,3-thiazole?
2-[4-(4-bromophenyl)sulfonylphenyl]-4-[(sulfamoylamino)methyl]-1,3-thiazole has a molecular weight of 488.41 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromophenyl)sulfonylphenyl]-4-[(sulfamoylamino)methyl]-1,3-thiazole is sourced from PubChem (CID 57340180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).