1-(benzenesulfonyl)-4-chloro-2-iodopyrrole

C10H7ClINO2S — CID 91051765

IUPAC1-(benzenesulfonyl)-4-chloro-2-iodopyrrole
SMILESO=S(=O)(c1ccccc1)n1cc(Cl)cc1I
InChIInChI=1S/C10H7ClINO2S/c11-8-6-10(12)13(7-8)16(14,15)9-4-2-1-3-5-9/h1-7H
InChIKeyOWSUNTQRHADJOW-UHFFFAOYSA-N
MW367.60 g/mol
LogP2.98
Rot. Bonds2

About 1-(benzenesulfonyl)-4-chloro-2-iodopyrrole

1-(benzenesulfonyl)-4-chloro-2-iodopyrrole (PubChem CID 91051765) has the molecular formula C10H7ClINO2S and a molecular weight of 367.60 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-chloro-2-iodopyrrole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-chloro-2-iodopyrrole
PubChem CID91051765
Molecular FormulaC10H7ClINO2S
Molecular Weight367.60 g/mol
Exact Mass366.89
IUPAC Name1-(benzenesulfonyl)-4-chloro-2-iodopyrrole
SMILESO=S(=O)(c1ccccc1)n1cc(Cl)cc1I
InChIInChI=1S/C10H7ClINO2S/c11-8-6-10(12)13(7-8)16(14,15)9-4-2-1-3-5-9/h1-7H
InChIKeyOWSUNTQRHADJOW-UHFFFAOYSA-N
XLogP2.98
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.60
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-Chloro-N,N-diethylpyridine-3-sulfonamide
CID 2433226
2-Chloro-5-(pyrrolidine-1-sulfonyl)pyridine
CID 2433223
6-chloro-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 2433221
1-Phenylsulfonylpyrrole
CID 140146
6-Chloropyridine-3-sulfonamide
CID 1201512
6-chloro-N-methyl-N-phenylpyridine-3-sulfonamide
CID 2529980
1-[(4-chlorophenyl)sulfonyl]-4-(1H-pyrrol-1-yl)piperidine
CID 2822457
4-Chloro-3-pyridinesulfonamide
CID 118426
Cambridge id 6132041
CID 775487
1-(4-chloro-benzenesulfonyl)-2-ethyl-1H-pyrrole
CID 71562082
5-Chloropyridine-2-sulfonamide
CID 22244571
1-[(4-Chlorophenyl)sulfonyl]-1H-pyrrole
CID 706366

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-chloro-2-iodopyrrole?
The IUPAC name of 1-(benzenesulfonyl)-4-chloro-2-iodopyrrole (CID 91051765) is 1-(benzenesulfonyl)-4-chloro-2-iodopyrrole.
What is the SMILES notation for 1-(benzenesulfonyl)-4-chloro-2-iodopyrrole?
The canonical SMILES for 1-(benzenesulfonyl)-4-chloro-2-iodopyrrole is O=S(=O)(c1ccccc1)n1cc(Cl)cc1I.
What is the InChIKey of 1-(benzenesulfonyl)-4-chloro-2-iodopyrrole?
The InChIKey is OWSUNTQRHADJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClINO2S/c11-8-6-10(12)13(7-8)16(14,15)9-4-2-1-3-5-9/h1-7H.
What are the key properties of 1-(benzenesulfonyl)-4-chloro-2-iodopyrrole?
1-(benzenesulfonyl)-4-chloro-2-iodopyrrole has a molecular weight of 367.60 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-chloro-2-iodopyrrole is sourced from PubChem (CID 91051765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).