5-azido-2-[2-[4-azido-2-(3-hydroxypropylsulfamoyl)phenyl]ethenyl]-N-(3-hydroxypropyl)benzenesulfonamide

C20H24N8O6S2 — CID 139632799

IUPAC5-azido-2-[2-[4-azido-2-(3-hydroxypropylsulfamoyl)phenyl]ethenyl]-N-(3-hydroxypropyl)benzenesulfonamide
SMILES[N-]=[N+]=Nc1ccc(C=Cc2ccc(N=[N+]=[N-])cc2S(=O)(=O)NCCCO)c(S(=O)(=O)NCCCO)c1
InChIInChI=1S/C20H24N8O6S2/c21-27-25-17-7-5-15(19(13-17)35(31,32)23-9-1-11-29)3-4-16-6-8-18(26-28-22)14-20(16)36(33,34)24-10-2-12-30/h3-8,13-14,23-24,29-30H,1-2,9-12H2
InChIKeyMACRYLJPRWRPOP-UHFFFAOYSA-N
MW536.60 g/mol
LogP3.06
Rot. Bonds14

About 5-azido-2-[2-[4-azido-2-(3-hydroxypropylsulfamoyl)phenyl]ethenyl]-N-(3-hydroxypropyl)benzenesulfonamide

5-azido-2-[2-[4-azido-2-(3-hydroxypropylsulfamoyl)phenyl]ethenyl]-N-(3-hydroxypropyl)benzenesulfonamide (PubChem CID 139632799) has the molecular formula C20H24N8O6S2 and a molecular weight of 536.60 g/mol. Its IUPAC name is 5-azido-2-[2-[4-azido-2-(3-hydroxypropylsulfamoyl)phenyl]ethenyl]-N-(3-hydroxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name5-azido-2-[2-[4-azido-2-(3-hydroxypropylsulfamoyl)phenyl]ethenyl]-N-(3-hydroxypropyl)benzenesulfonamide
PubChem CID139632799
Molecular FormulaC20H24N8O6S2
Molecular Weight536.60 g/mol
Exact Mass536.13
IUPAC Name5-azido-2-[2-[4-azido-2-(3-hydroxypropylsulfamoyl)phenyl]ethenyl]-N-(3-hydroxypropyl)benzenesulfonamide
SMILES[N-]=[N+]=Nc1ccc(C=Cc2ccc(N=[N+]=[N-])cc2S(=O)(=O)NCCCO)c(S(=O)(=O)NCCCO)c1
InChIInChI=1S/C20H24N8O6S2/c21-27-25-17-7-5-15(19(13-17)35(31,32)23-9-1-11-29)3-4-16-6-8-18(26-28-22)14-20(16)36(33,34)24-10-2-12-30/h3-8,13-14,23-24,29-30H,1-2,9-12H2
InChIKeyMACRYLJPRWRPOP-UHFFFAOYSA-N
XLogP3.06
TPSA230.32 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.60
LogP ≤ 53.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-azido-N-hexylbenzenesulfonamide
CID 169325897
imino-[4-[(E)-2-[4-(iminoazaniumylideneamino)-2-sulfophenyl]ethenyl]-3-sulfophenyl]iminoazanium
CID 155420692
4-chloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide
CID 43501480
5-chloro-2-ethenyl-N-[2-[4-(3-hydroxypropyl)phenyl]ethyl]benzenesulfonamide
CID 70373571
2,4-dichloro-3-fluoro-N-(3-hydroxypropyl)benzenesulfonamide
CID 103088486
4-azido-2-methylbenzenesulfonic acid
CID 151456174
5-ethoxy-N-(3-hydroxypropyl)-2,4-dimethylbenzenesulfonamide
CID 50876879
5-chloro-2-cyano-N-(3-hydroxypropyl)benzenesulfonamide
CID 43501464
2-amino-N-(3-hydroxypropyl)-4-methoxybenzenesulfonamide
CID 43345862
N-(3-hydroxypropyl)-2-nitrobenzenesulfonamide
CID 4145930
4-ethenyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 67924061
3-azido-N-[3-(dimethylamino)propyl]benzamide
CID 135993055

Frequently Asked Questions

What is the IUPAC name of 5-azido-2-[2-[4-azido-2-(3-hydroxypropylsulfamoyl)phenyl]ethenyl]-N-(3-hydroxypropyl)benzenesulfonamide?
The IUPAC name of 5-azido-2-[2-[4-azido-2-(3-hydroxypropylsulfamoyl)phenyl]ethenyl]-N-(3-hydroxypropyl)benzenesulfonamide (CID 139632799) is 5-azido-2-[2-[4-azido-2-(3-hydroxypropylsulfamoyl)phenyl]ethenyl]-N-(3-hydroxypropyl)benzenesulfonamide.
What is the SMILES notation for 5-azido-2-[2-[4-azido-2-(3-hydroxypropylsulfamoyl)phenyl]ethenyl]-N-(3-hydroxypropyl)benzenesulfonamide?
The canonical SMILES for 5-azido-2-[2-[4-azido-2-(3-hydroxypropylsulfamoyl)phenyl]ethenyl]-N-(3-hydroxypropyl)benzenesulfonamide is [N-]=[N+]=Nc1ccc(C=Cc2ccc(N=[N+]=[N-])cc2S(=O)(=O)NCCCO)c(S(=O)(=O)NCCCO)c1.
What is the InChIKey of 5-azido-2-[2-[4-azido-2-(3-hydroxypropylsulfamoyl)phenyl]ethenyl]-N-(3-hydroxypropyl)benzenesulfonamide?
The InChIKey is MACRYLJPRWRPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O6S2/c21-27-25-17-7-5-15(19(13-17)35(31,32)23-9-1-11-29)3-4-16-6-8-18(26-28-22)14-20(16)36(33,34)24-10-2-12-30/h3-8,13-14,23-24,29-30H,1-2,9-12H2.
What are the key properties of 5-azido-2-[2-[4-azido-2-(3-hydroxypropylsulfamoyl)phenyl]ethenyl]-N-(3-hydroxypropyl)benzenesulfonamide?
5-azido-2-[2-[4-azido-2-(3-hydroxypropylsulfamoyl)phenyl]ethenyl]-N-(3-hydroxypropyl)benzenesulfonamide has a molecular weight of 536.60 g/mol, XLogP of 3.06, 14 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azido-2-[2-[4-azido-2-(3-hydroxypropylsulfamoyl)phenyl]ethenyl]-N-(3-hydroxypropyl)benzenesulfonamide is sourced from PubChem (CID 139632799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).