4-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide

C15H11N3O4S2 — CID 59216632

IUPAC4-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(-c2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1
InChIInChI=1S/C15H11N3O4S2/c19-18(20)13-5-1-11(2-6-13)12-3-7-14(8-4-12)24(21,22)17-15-16-9-10-23-15/h1-10H,(H,16,17)
InChIKeyWFVBAEQHENNFNK-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.52
Rot. Bonds5

About 4-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 59216632) has the molecular formula C15H11N3O4S2 and a molecular weight of 361.40 g/mol. Its IUPAC name is 4-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID59216632
Molecular FormulaC15H11N3O4S2
Molecular Weight361.40 g/mol
Exact Mass361.02
IUPAC Name4-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(-c2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1
InChIInChI=1S/C15H11N3O4S2/c19-18(20)13-5-1-11(2-6-13)12-3-7-14(8-4-12)24(21,22)17-15-16-9-10-23-15/h1-10H,(H,16,17)
InChIKeyWFVBAEQHENNFNK-UHFFFAOYSA-N
XLogP3.52
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-nitro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 2246052
4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-nitrobenzoic acid
CID 139086395
ethane;4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 145483672
2-(4-nitrophenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 4951265
2-[(4-nitrophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361114
4-(methanesulfonamido)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 653937
[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]azanium tetrafluoroborate
CID 139204733
4-(2-chloroethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 28719509
3-(ethylamino)-4-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 82845963
4-[[4-(4-nitrobenzoyl)-1',2,3'-trioxospiro[furan-5,2'-indene]-3-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 138455515
3-(4-nitropyrazol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 19555438
4-benzylsulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 87471470

Frequently Asked Questions

What is the IUPAC name of 4-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 59216632) is 4-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=[N+]([O-])c1ccc(-c2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1.
What is the InChIKey of 4-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is WFVBAEQHENNFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O4S2/c19-18(20)13-5-1-11(2-6-13)12-3-7-14(8-4-12)24(21,22)17-15-16-9-10-23-15/h1-10H,(H,16,17).
What are the key properties of 4-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 361.40 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 59216632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).