N-chloro-3-formylbenzenesulfonamide

C7H6ClNO3S — CID 87179067

IUPACN-chloro-3-formylbenzenesulfonamide
SMILESO=Cc1cccc(S(=O)(=O)NCl)c1
InChIInChI=1S/C7H6ClNO3S/c8-9-13(11,12)7-3-1-2-6(4-7)5-10/h1-5,9H
InChIKeyRFSOHMLDQASFRE-UHFFFAOYSA-N
MW219.65 g/mol
LogP0.93
Rot. Bonds3

About N-chloro-3-formylbenzenesulfonamide

N-chloro-3-formylbenzenesulfonamide (PubChem CID 87179067) has the molecular formula C7H6ClNO3S and a molecular weight of 219.65 g/mol. Its IUPAC name is N-chloro-3-formylbenzenesulfonamide.

Molecular Properties

Compound NameN-chloro-3-formylbenzenesulfonamide
PubChem CID87179067
Molecular FormulaC7H6ClNO3S
Molecular Weight219.65 g/mol
Exact Mass218.98
IUPAC NameN-chloro-3-formylbenzenesulfonamide
SMILESO=Cc1cccc(S(=O)(=O)NCl)c1
InChIInChI=1S/C7H6ClNO3S/c8-9-13(11,12)7-3-1-2-6(4-7)5-10/h1-5,9H
InChIKeyRFSOHMLDQASFRE-UHFFFAOYSA-N
XLogP0.93
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.65
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-formylbenzenesulfonyl chloride
CID 22007178
3-formyl-N-phenylbenzenesulfonamide
CID 22601475
N-chloro-3-methylbenzenesulfonamide
CID 18672211
3-(4-chlorophenyl)sulfonylbenzaldehyde
CID 87544782
1-[2,6-di(propan-2-yl)phenyl]-3-(3-formylphenyl)sulfonylurea
CID 18461733
benzene-1,3-dicarbaldehyde;ethane
CID 91375977
benzene-1,3-dicarbaldehyde;carbon monoxide;chromium
CID 11161539
4-tert-butyl-N-(3-formylphenyl)benzenesulfonamide
CID 1249997
CID 134861589
CID 134861589
3-chloro-N-(3-chlorophenyl)sulfonylbenzenesulfonamide
CID 18537457
3-[dichloro-(3-formylphenyl)methyl]benzaldehyde
CID 57260352
3-[chloro-(3-formylphenyl)methyl]benzaldehyde
CID 57015313

Frequently Asked Questions

What is the IUPAC name of N-chloro-3-formylbenzenesulfonamide?
The IUPAC name of N-chloro-3-formylbenzenesulfonamide (CID 87179067) is N-chloro-3-formylbenzenesulfonamide.
What is the SMILES notation for N-chloro-3-formylbenzenesulfonamide?
The canonical SMILES for N-chloro-3-formylbenzenesulfonamide is O=Cc1cccc(S(=O)(=O)NCl)c1.
What is the InChIKey of N-chloro-3-formylbenzenesulfonamide?
The InChIKey is RFSOHMLDQASFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO3S/c8-9-13(11,12)7-3-1-2-6(4-7)5-10/h1-5,9H.
What are the key properties of N-chloro-3-formylbenzenesulfonamide?
N-chloro-3-formylbenzenesulfonamide has a molecular weight of 219.65 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-3-formylbenzenesulfonamide is sourced from PubChem (CID 87179067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).