N-(1H-indol-7-yl)-4-nitrobenzenesulfonamide

C14H11N3O4S — CID 10829271

IUPACN-(1H-indol-7-yl)-4-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc3cc[nH]c23)cc1
InChIInChI=1S/C14H11N3O4S/c18-17(19)11-4-6-12(7-5-11)22(20,21)16-13-3-1-2-10-8-9-15-14(10)13/h1-9,15-16H
InChIKeySFRDQSAMFOFSAQ-UHFFFAOYSA-N
MW317.33 g/mol
LogP2.88
Rot. Bonds4

About N-(1H-indol-7-yl)-4-nitrobenzenesulfonamide

N-(1H-indol-7-yl)-4-nitrobenzenesulfonamide (PubChem CID 10829271) has the molecular formula C14H11N3O4S and a molecular weight of 317.33 g/mol. Its IUPAC name is N-(1H-indol-7-yl)-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(1H-indol-7-yl)-4-nitrobenzenesulfonamide
PubChem CID10829271
Molecular FormulaC14H11N3O4S
Molecular Weight317.33 g/mol
Exact Mass317.05
IUPAC NameN-(1H-indol-7-yl)-4-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc3cc[nH]c23)cc1
InChIInChI=1S/C14H11N3O4S/c18-17(19)11-4-6-12(7-5-11)22(20,21)16-13-3-1-2-10-8-9-15-14(10)13/h1-9,15-16H
InChIKeySFRDQSAMFOFSAQ-UHFFFAOYSA-N
XLogP2.88
TPSA105.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-7-yl)-4-nitrobenzenesulfonamide?
The IUPAC name of N-(1H-indol-7-yl)-4-nitrobenzenesulfonamide (CID 10829271) is N-(1H-indol-7-yl)-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-(1H-indol-7-yl)-4-nitrobenzenesulfonamide?
The canonical SMILES for N-(1H-indol-7-yl)-4-nitrobenzenesulfonamide is O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc3cc[nH]c23)cc1.
What is the InChIKey of N-(1H-indol-7-yl)-4-nitrobenzenesulfonamide?
The InChIKey is SFRDQSAMFOFSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O4S/c18-17(19)11-4-6-12(7-5-11)22(20,21)16-13-3-1-2-10-8-9-15-14(10)13/h1-9,15-16H.
What are the key properties of N-(1H-indol-7-yl)-4-nitrobenzenesulfonamide?
N-(1H-indol-7-yl)-4-nitrobenzenesulfonamide has a molecular weight of 317.33 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-7-yl)-4-nitrobenzenesulfonamide is sourced from PubChem (CID 10829271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).