2-[4-(benzenesulfonyl)phenyl]-4-[(sulfamoylamino)methyl]-1,3-thiazole

C16H15N3O4S3 — CID 57340178

IUPAC2-[4-(benzenesulfonyl)phenyl]-4-[(sulfamoylamino)methyl]-1,3-thiazole
SMILESNS(=O)(=O)NCc1csc(-c2ccc(S(=O)(=O)c3ccccc3)cc2)n1
InChIInChI=1S/C16H15N3O4S3/c17-26(22,23)18-10-13-11-24-16(19-13)12-6-8-15(9-7-12)25(20,21)14-4-2-1-3-5-14/h1-9,11,18H,10H2,(H2,17,22,23)
InChIKeyZBCYYPLZTWIDDF-UHFFFAOYSA-N
MW409.51 g/mol
LogP1.94
Rot. Bonds6

About 2-[4-(benzenesulfonyl)phenyl]-4-[(sulfamoylamino)methyl]-1,3-thiazole

2-[4-(benzenesulfonyl)phenyl]-4-[(sulfamoylamino)methyl]-1,3-thiazole (PubChem CID 57340178) has the molecular formula C16H15N3O4S3 and a molecular weight of 409.51 g/mol. Its IUPAC name is 2-[4-(benzenesulfonyl)phenyl]-4-[(sulfamoylamino)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(benzenesulfonyl)phenyl]-4-[(sulfamoylamino)methyl]-1,3-thiazole
PubChem CID57340178
Molecular FormulaC16H15N3O4S3
Molecular Weight409.51 g/mol
Exact Mass409.02
IUPAC Name2-[4-(benzenesulfonyl)phenyl]-4-[(sulfamoylamino)methyl]-1,3-thiazole
SMILESNS(=O)(=O)NCc1csc(-c2ccc(S(=O)(=O)c3ccccc3)cc2)n1
InChIInChI=1S/C16H15N3O4S3/c17-26(22,23)18-10-13-11-24-16(19-13)12-6-8-15(9-7-12)25(20,21)14-4-2-1-3-5-14/h1-9,11,18H,10H2,(H2,17,22,23)
InChIKeyZBCYYPLZTWIDDF-UHFFFAOYSA-N
XLogP1.94
TPSA119.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonyl)phenyl]-4-[(sulfamoylamino)methyl]-1,3-thiazole?
The IUPAC name of 2-[4-(benzenesulfonyl)phenyl]-4-[(sulfamoylamino)methyl]-1,3-thiazole (CID 57340178) is 2-[4-(benzenesulfonyl)phenyl]-4-[(sulfamoylamino)methyl]-1,3-thiazole.
What is the SMILES notation for 2-[4-(benzenesulfonyl)phenyl]-4-[(sulfamoylamino)methyl]-1,3-thiazole?
The canonical SMILES for 2-[4-(benzenesulfonyl)phenyl]-4-[(sulfamoylamino)methyl]-1,3-thiazole is NS(=O)(=O)NCc1csc(-c2ccc(S(=O)(=O)c3ccccc3)cc2)n1.
What is the InChIKey of 2-[4-(benzenesulfonyl)phenyl]-4-[(sulfamoylamino)methyl]-1,3-thiazole?
The InChIKey is ZBCYYPLZTWIDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S3/c17-26(22,23)18-10-13-11-24-16(19-13)12-6-8-15(9-7-12)25(20,21)14-4-2-1-3-5-14/h1-9,11,18H,10H2,(H2,17,22,23).
What are the key properties of 2-[4-(benzenesulfonyl)phenyl]-4-[(sulfamoylamino)methyl]-1,3-thiazole?
2-[4-(benzenesulfonyl)phenyl]-4-[(sulfamoylamino)methyl]-1,3-thiazole has a molecular weight of 409.51 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonyl)phenyl]-4-[(sulfamoylamino)methyl]-1,3-thiazole is sourced from PubChem (CID 57340178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).