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

C15H10ClN3O4S2 — CID 10834541

IUPAC4-chloro-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESO=[N+]([O-])c1cccc(-c2csc(NS(=O)(=O)c3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C15H10ClN3O4S2/c16-11-4-6-13(7-5-11)25(22,23)18-15-17-14(9-24-15)10-2-1-3-12(8-10)19(20)21/h1-9H,(H,17,18)
InChIKeyQMTUGYVKSXGQAX-UHFFFAOYSA-N
MW395.85 g/mol
LogP4.17
Rot. Bonds5

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

4-chloro-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide (PubChem CID 10834541) has the molecular formula C15H10ClN3O4S2 and a molecular weight of 395.85 g/mol. Its IUPAC name is 4-chloro-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
PubChem CID10834541
Molecular FormulaC15H10ClN3O4S2
Molecular Weight395.85 g/mol
Exact Mass394.98
IUPAC Name4-chloro-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESO=[N+]([O-])c1cccc(-c2csc(NS(=O)(=O)c3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C15H10ClN3O4S2/c16-11-4-6-13(7-5-11)25(22,23)18-15-17-14(9-24-15)10-2-1-3-12(8-10)19(20)21/h1-9H,(H,17,18)
InChIKeyQMTUGYVKSXGQAX-UHFFFAOYSA-N
XLogP4.17
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_F(1)', 'substructure': 'N/A'}, {'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-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 1104657
N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 892402
4-Methyl-N-[4-(3-nitro-phenyl)-thiazol-2-yl]-benzenesulfonamide
CID 4233969
N-[4-(3-Nitro-phenyl)-thiazol-2-yl]-benzenesulfonamide
CID 10393215
4-Amino-N-[4-(3-nitro-phenyl)-thiazol-2-yl]-benzenesulfonamide
CID 10407177
3,4-Dichloro-N-[4-(3-nitro-phenyl)-thiazol-2-yl]-benzenesulfonamide
CID 10526613
N-[4-(4-Chloro-phenyl)-thiazol-2-yl]-4-methyl-benzenesulfonamide
CID 10666499
4-Isopropyl-N-[4-(3-nitro-phenyl)-thiazol-2-yl]-benzenesulfonamide
CID 10763694
Cambridge id 5807729
CID 2870302
cdDHQD-IN-1
CID 2916390
4-Amino-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 229723
4-[[4-(3-Nitrophenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 2281094

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide (CID 10834541) is 4-chloro-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide is O=[N+]([O-])c1cccc(-c2csc(NS(=O)(=O)c3ccc(Cl)cc3)n2)c1.
What is the InChIKey of 4-chloro-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The InChIKey is QMTUGYVKSXGQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O4S2/c16-11-4-6-13(7-5-11)25(22,23)18-15-17-14(9-24-15)10-2-1-3-12(8-10)19(20)21/h1-9H,(H,17,18).
What are the key properties of 4-chloro-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
4-chloro-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide has a molecular weight of 395.85 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 10834541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).