4-[[2-(4-sulfamoylanilino)-1,3-thiazol-4-yl]amino]benzenesulfonamide

C15H15N5O4S3 — CID 127045237

IUPAC4-[[2-(4-sulfamoylanilino)-1,3-thiazol-4-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2csc(Nc3ccc(S(N)(=O)=O)cc3)n2)cc1
InChIInChI=1S/C15H15N5O4S3/c16-26(21,22)12-5-1-10(2-6-12)18-14-9-25-15(20-14)19-11-3-7-13(8-4-11)27(17,23)24/h1-9,18H,(H,19,20)(H2,16,21,22)(H2,17,23,24)
InChIKeyBMVLWFBFKPUDMG-UHFFFAOYSA-N
MW425.52 g/mol
LogP1.93
Rot. Bonds6

About 4-[[2-(4-sulfamoylanilino)-1,3-thiazol-4-yl]amino]benzenesulfonamide

4-[[2-(4-sulfamoylanilino)-1,3-thiazol-4-yl]amino]benzenesulfonamide (PubChem CID 127045237) has the molecular formula C15H15N5O4S3 and a molecular weight of 425.52 g/mol. Its IUPAC name is 4-[[2-(4-sulfamoylanilino)-1,3-thiazol-4-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[2-(4-sulfamoylanilino)-1,3-thiazol-4-yl]amino]benzenesulfonamide
PubChem CID127045237
Molecular FormulaC15H15N5O4S3
Molecular Weight425.52 g/mol
Exact Mass425.03
IUPAC Name4-[[2-(4-sulfamoylanilino)-1,3-thiazol-4-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2csc(Nc3ccc(S(N)(=O)=O)cc3)n2)cc1
InChIInChI=1S/C15H15N5O4S3/c16-26(21,22)12-5-1-10(2-6-12)18-14-9-25-15(20-14)19-11-3-7-13(8-4-11)27(17,23)24/h1-9,18H,(H,19,20)(H2,16,21,22)(H2,17,23,24)
InChIKeyBMVLWFBFKPUDMG-UHFFFAOYSA-N
XLogP1.93
TPSA157.27 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.52
LogP ≤ 51.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-sulfamoylanilino)-1,3-thiazol-4-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[2-(4-sulfamoylanilino)-1,3-thiazol-4-yl]amino]benzenesulfonamide (CID 127045237) is 4-[[2-(4-sulfamoylanilino)-1,3-thiazol-4-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[2-(4-sulfamoylanilino)-1,3-thiazol-4-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[2-(4-sulfamoylanilino)-1,3-thiazol-4-yl]amino]benzenesulfonamide is NS(=O)(=O)c1ccc(Nc2csc(Nc3ccc(S(N)(=O)=O)cc3)n2)cc1.
What is the InChIKey of 4-[[2-(4-sulfamoylanilino)-1,3-thiazol-4-yl]amino]benzenesulfonamide?
The InChIKey is BMVLWFBFKPUDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O4S3/c16-26(21,22)12-5-1-10(2-6-12)18-14-9-25-15(20-14)19-11-3-7-13(8-4-11)27(17,23)24/h1-9,18H,(H,19,20)(H2,16,21,22)(H2,17,23,24).
What are the key properties of 4-[[2-(4-sulfamoylanilino)-1,3-thiazol-4-yl]amino]benzenesulfonamide?
4-[[2-(4-sulfamoylanilino)-1,3-thiazol-4-yl]amino]benzenesulfonamide has a molecular weight of 425.52 g/mol, XLogP of 1.93, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-sulfamoylanilino)-1,3-thiazol-4-yl]amino]benzenesulfonamide is sourced from PubChem (CID 127045237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).