2-(benzenesulfonyl)-4-chloro-1H-indole-3-carbaldehyde

C15H10ClNO3S — CID 150536931

IUPAC2-(benzenesulfonyl)-4-chloro-1H-indole-3-carbaldehyde
SMILESO=Cc1c(S(=O)(=O)c2ccccc2)[nH]c2cccc(Cl)c12
InChIInChI=1S/C15H10ClNO3S/c16-12-7-4-8-13-14(12)11(9-18)15(17-13)21(19,20)10-5-2-1-3-6-10/h1-9,17H
InChIKeyIFAPPBKRFVIRLN-UHFFFAOYSA-N
MW319.77 g/mol
LogP3.47
Rot. Bonds3

About 2-(benzenesulfonyl)-4-chloro-1H-indole-3-carbaldehyde

2-(benzenesulfonyl)-4-chloro-1H-indole-3-carbaldehyde (PubChem CID 150536931) has the molecular formula C15H10ClNO3S and a molecular weight of 319.77 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-4-chloro-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-(benzenesulfonyl)-4-chloro-1H-indole-3-carbaldehyde
PubChem CID150536931
Molecular FormulaC15H10ClNO3S
Molecular Weight319.77 g/mol
Exact Mass319.01
IUPAC Name2-(benzenesulfonyl)-4-chloro-1H-indole-3-carbaldehyde
SMILESO=Cc1c(S(=O)(=O)c2ccccc2)[nH]c2cccc(Cl)c12
InChIInChI=1S/C15H10ClNO3S/c16-12-7-4-8-13-14(12)11(9-18)15(17-13)21(19,20)10-5-2-1-3-6-10/h1-9,17H
InChIKeyIFAPPBKRFVIRLN-UHFFFAOYSA-N
XLogP3.47
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-1H-indole-3-carbaldehyde
CID 75365474
4,10-dichloroanthracene-9-carbaldehyde
CID 13375395
2,6-dichlorobenzaldehyde;ethane
CID 90823593
3,4,5-trichloro-1H-quinolin-2-one
CID 142762208
2-(benzenesulfonyl)-6-chloroaniline
CID 22766719
4-chloro-2-iodo-1-benzothiophene-3-carbaldehyde
CID 131014353
1-(benzenesulfonyl)-3-chloro-2-fluorobenzene
CID 118451545
1-[2-(benzenesulfonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone
CID 175709241
2-(benzenesulfonyl)-3-piperazin-1-yl-1H-indole
CID 66917393
2-(benzenesulfonyl)-5-chloro-4-methylpyrimidine
CID 54138788
5-(benzenesulfonyl)-6-(2,3-dichlorophenoxy)-1,3-dihydrobenzimidazole-2-thione
CID 10321562
2-(benzenesulfonyl)benzaldehyde
CID 640916

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-4-chloro-1H-indole-3-carbaldehyde?
The IUPAC name of 2-(benzenesulfonyl)-4-chloro-1H-indole-3-carbaldehyde (CID 150536931) is 2-(benzenesulfonyl)-4-chloro-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2-(benzenesulfonyl)-4-chloro-1H-indole-3-carbaldehyde?
The canonical SMILES for 2-(benzenesulfonyl)-4-chloro-1H-indole-3-carbaldehyde is O=Cc1c(S(=O)(=O)c2ccccc2)[nH]c2cccc(Cl)c12.
What is the InChIKey of 2-(benzenesulfonyl)-4-chloro-1H-indole-3-carbaldehyde?
The InChIKey is IFAPPBKRFVIRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO3S/c16-12-7-4-8-13-14(12)11(9-18)15(17-13)21(19,20)10-5-2-1-3-6-10/h1-9,17H.
What are the key properties of 2-(benzenesulfonyl)-4-chloro-1H-indole-3-carbaldehyde?
2-(benzenesulfonyl)-4-chloro-1H-indole-3-carbaldehyde has a molecular weight of 319.77 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-4-chloro-1H-indole-3-carbaldehyde is sourced from PubChem (CID 150536931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).