6-nitro-1H-indole-3-sulfonyl chloride

C8H5ClN2O4S — CID 14736087

IUPAC6-nitro-1H-indole-3-sulfonyl chloride
SMILESO=[N+]([O-])c1ccc2c(S(=O)(=O)Cl)c[nH]c2c1
InChIInChI=1S/C8H5ClN2O4S/c9-16(14,15)8-4-10-7-3-5(11(12)13)1-2-6(7)8/h1-4,10H
InChIKeyNKYPYESQRSNEOB-UHFFFAOYSA-N
MW260.66 g/mol
LogP2.00
Rot. Bonds2

About 6-nitro-1H-indole-3-sulfonyl chloride

6-nitro-1H-indole-3-sulfonyl chloride (PubChem CID 14736087) has the molecular formula C8H5ClN2O4S and a molecular weight of 260.66 g/mol. Its IUPAC name is 6-nitro-1H-indole-3-sulfonyl chloride.

Molecular Properties

Compound Name6-nitro-1H-indole-3-sulfonyl chloride
PubChem CID14736087
Molecular FormulaC8H5ClN2O4S
Molecular Weight260.66 g/mol
Exact Mass259.97
IUPAC Name6-nitro-1H-indole-3-sulfonyl chloride
SMILESO=[N+]([O-])c1ccc2c(S(=O)(=O)Cl)c[nH]c2c1
InChIInChI=1S/C8H5ClN2O4S/c9-16(14,15)8-4-10-7-3-5(11(12)13)1-2-6(7)8/h1-4,10H
InChIKeyNKYPYESQRSNEOB-UHFFFAOYSA-N
XLogP2.00
TPSA93.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.66
LogP ≤ 52.00
H-Bond Donors ≤ 51
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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Related Compounds

3-bromo-6-nitro-1H-indole
CID 14707934
6-nitro-N-(pyridin-4-ylmethyl)-1H-indole-3-sulfonamide
CID 75437975
3-methyl-7-nitro-1H-quinolin-4-one
CID 10560102
sodium 6-nitro-1H-indole-3-sulfinate
CID 165450416
2-methyl-5-nitrobenzenesulfonyl chloride
CID 8457
(1S)-1-(6-nitro-1H-indol-3-yl)ethanamine
CID 82758109
2-ethyl-4-nitrobenzenesulfonyl chloride
CID 87194881
3-(methylsulfanylmethyl)-6-nitro-1H-indole
CID 23245098
2-(dichloromethyl)-4-nitrobenzenesulfonyl chloride
CID 150269142
2-bromo-1-(6-nitro-1H-indol-3-yl)ethanone
CID 43308931
methyl 2-(6-nitro-1H-indol-3-yl)-2-oxoacetate
CID 75412293
cyclopropyl-(6-nitro-1H-indol-3-yl)methanone
CID 43308968

Frequently Asked Questions

What is the IUPAC name of 6-nitro-1H-indole-3-sulfonyl chloride?
The IUPAC name of 6-nitro-1H-indole-3-sulfonyl chloride (CID 14736087) is 6-nitro-1H-indole-3-sulfonyl chloride.
What is the SMILES notation for 6-nitro-1H-indole-3-sulfonyl chloride?
The canonical SMILES for 6-nitro-1H-indole-3-sulfonyl chloride is O=[N+]([O-])c1ccc2c(S(=O)(=O)Cl)c[nH]c2c1.
What is the InChIKey of 6-nitro-1H-indole-3-sulfonyl chloride?
The InChIKey is NKYPYESQRSNEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O4S/c9-16(14,15)8-4-10-7-3-5(11(12)13)1-2-6(7)8/h1-4,10H.
What are the key properties of 6-nitro-1H-indole-3-sulfonyl chloride?
6-nitro-1H-indole-3-sulfonyl chloride has a molecular weight of 260.66 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-1H-indole-3-sulfonyl chloride is sourced from PubChem (CID 14736087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).