6-nitro-N-(pyridin-4-ylmethyl)-1H-indole-3-sulfonamide

C14H12N4O4S — CID 75437975

IUPAC6-nitro-N-(pyridin-4-ylmethyl)-1H-indole-3-sulfonamide
SMILESO=[N+]([O-])c1ccc2c(S(=O)(=O)NCc3ccncc3)c[nH]c2c1
InChIInChI=1S/C14H12N4O4S/c19-18(20)11-1-2-12-13(7-11)16-9-14(12)23(21,22)17-8-10-3-5-15-6-4-10/h1-7,9,16-17H,8H2
InChIKeyIUQNHIOOVQPGOY-UHFFFAOYSA-N
MW332.34 g/mol
LogP1.95
Rot. Bonds5

About 6-nitro-N-(pyridin-4-ylmethyl)-1H-indole-3-sulfonamide

6-nitro-N-(pyridin-4-ylmethyl)-1H-indole-3-sulfonamide (PubChem CID 75437975) has the molecular formula C14H12N4O4S and a molecular weight of 332.34 g/mol. Its IUPAC name is 6-nitro-N-(pyridin-4-ylmethyl)-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name6-nitro-N-(pyridin-4-ylmethyl)-1H-indole-3-sulfonamide
PubChem CID75437975
Molecular FormulaC14H12N4O4S
Molecular Weight332.34 g/mol
Exact Mass332.06
IUPAC Name6-nitro-N-(pyridin-4-ylmethyl)-1H-indole-3-sulfonamide
SMILESO=[N+]([O-])c1ccc2c(S(=O)(=O)NCc3ccncc3)c[nH]c2c1
InChIInChI=1S/C14H12N4O4S/c19-18(20)11-1-2-12-13(7-11)16-9-14(12)23(21,22)17-8-10-3-5-15-6-4-10/h1-7,9,16-17H,8H2
InChIKeyIUQNHIOOVQPGOY-UHFFFAOYSA-N
XLogP1.95
TPSA117.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2,4-dinitro-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 14616990
6-nitro-1H-indole-3-sulfonyl chloride
CID 14736087
N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-6-nitro-1H-indole-3-sulfonamide
CID 167843166
4-nitro-N-(pyridin-4-ylmethyl)aniline
CID 3927656
3-fluoro-4-nitro-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 82846618
2-fluoro-4-nitro-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide
CID 106386123
1-(4-nitrophenyl)-N-(pyridin-4-ylmethyl)methanamine;hydrochloride
CID 17293373
3-bromo-6-nitro-1H-indole
CID 14707934
N-[(4-imidazol-1-ylphenyl)methyl]-2-methyl-5-nitrobenzenesulfonamide
CID 43910093
5-chloro-4-nitro-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
CID 80742367
5-nitro-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-sulfonamide
CID 46273380
2-methoxy-N-[(4-methylphenyl)methyl]-4-nitrobenzenesulfonamide
CID 39619479

Frequently Asked Questions

What is the IUPAC name of 6-nitro-N-(pyridin-4-ylmethyl)-1H-indole-3-sulfonamide?
The IUPAC name of 6-nitro-N-(pyridin-4-ylmethyl)-1H-indole-3-sulfonamide (CID 75437975) is 6-nitro-N-(pyridin-4-ylmethyl)-1H-indole-3-sulfonamide.
What is the SMILES notation for 6-nitro-N-(pyridin-4-ylmethyl)-1H-indole-3-sulfonamide?
The canonical SMILES for 6-nitro-N-(pyridin-4-ylmethyl)-1H-indole-3-sulfonamide is O=[N+]([O-])c1ccc2c(S(=O)(=O)NCc3ccncc3)c[nH]c2c1.
What is the InChIKey of 6-nitro-N-(pyridin-4-ylmethyl)-1H-indole-3-sulfonamide?
The InChIKey is IUQNHIOOVQPGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O4S/c19-18(20)11-1-2-12-13(7-11)16-9-14(12)23(21,22)17-8-10-3-5-15-6-4-10/h1-7,9,16-17H,8H2.
What are the key properties of 6-nitro-N-(pyridin-4-ylmethyl)-1H-indole-3-sulfonamide?
6-nitro-N-(pyridin-4-ylmethyl)-1H-indole-3-sulfonamide has a molecular weight of 332.34 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-N-(pyridin-4-ylmethyl)-1H-indole-3-sulfonamide is sourced from PubChem (CID 75437975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).