3-bromo-4-chloro-7-(4-methylphenyl)sulfonyl-1H-pyrrolo[3,2-c]pyridine

C14H10BrClN2O2S — CID 91092393

IUPAC3-bromo-4-chloro-7-(4-methylphenyl)sulfonyl-1H-pyrrolo[3,2-c]pyridine
SMILESCc1ccc(S(=O)(=O)c2cnc(Cl)c3c(Br)c[nH]c23)cc1
InChIInChI=1S/C14H10BrClN2O2S/c1-8-2-4-9(5-3-8)21(19,20)11-7-18-14(16)12-10(15)6-17-13(11)12/h2-7,17H,1H3
InChIKeyBLYBOHCREWNVJS-UHFFFAOYSA-N
MW385.67 g/mol
LogP4.12
Rot. Bonds2

About 3-bromo-4-chloro-7-(4-methylphenyl)sulfonyl-1H-pyrrolo[3,2-c]pyridine

3-bromo-4-chloro-7-(4-methylphenyl)sulfonyl-1H-pyrrolo[3,2-c]pyridine (PubChem CID 91092393) has the molecular formula C14H10BrClN2O2S and a molecular weight of 385.67 g/mol. Its IUPAC name is 3-bromo-4-chloro-7-(4-methylphenyl)sulfonyl-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name3-bromo-4-chloro-7-(4-methylphenyl)sulfonyl-1H-pyrrolo[3,2-c]pyridine
PubChem CID91092393
Molecular FormulaC14H10BrClN2O2S
Molecular Weight385.67 g/mol
Exact Mass383.93
IUPAC Name3-bromo-4-chloro-7-(4-methylphenyl)sulfonyl-1H-pyrrolo[3,2-c]pyridine
SMILESCc1ccc(S(=O)(=O)c2cnc(Cl)c3c(Br)c[nH]c23)cc1
InChIInChI=1S/C14H10BrClN2O2S/c1-8-2-4-9(5-3-8)21(19,20)11-7-18-14(16)12-10(15)6-17-13(11)12/h2-7,17H,1H3
InChIKeyBLYBOHCREWNVJS-UHFFFAOYSA-N
XLogP4.12
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.67
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-bromo-6-chloro-N'-(4-methylphenyl)sulfonylpyridine-3-sulfonohydrazide
CID 4730121
4-bromo-7-(4-methylphenyl)sulfonyl-1H-pyrrolo[2,3-c]pyridine
CID 121335226
3-chloro-4-(4-methylphenyl)sulfonylpyridine
CID 102264519
2,5-dibromo-3,6-bis-(4-methylphenyl)sulfonylcyclohexa-2,5-diene-1,4-dione
CID 23048682
1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
1-(4-bromophenyl)sulfonyl-4-methylbenzene
CID 11426909
5-bromo-4-(4-methylphenyl)sulfonyl-3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
CID 122525722
1-(benzenesulfonyl)-2-(4-methylphenyl)sulfonylbenzene
CID 176904491
1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 158182934
methanamine;bis(1-methyl-4-(4-methylphenyl)sulfonylbenzene)
CID 23341933
N-(4-bromo-1H-pyrazol-5-yl)-4-methylbenzenesulfonamide
CID 3852469

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-7-(4-methylphenyl)sulfonyl-1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 3-bromo-4-chloro-7-(4-methylphenyl)sulfonyl-1H-pyrrolo[3,2-c]pyridine (CID 91092393) is 3-bromo-4-chloro-7-(4-methylphenyl)sulfonyl-1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 3-bromo-4-chloro-7-(4-methylphenyl)sulfonyl-1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 3-bromo-4-chloro-7-(4-methylphenyl)sulfonyl-1H-pyrrolo[3,2-c]pyridine is Cc1ccc(S(=O)(=O)c2cnc(Cl)c3c(Br)c[nH]c23)cc1.
What is the InChIKey of 3-bromo-4-chloro-7-(4-methylphenyl)sulfonyl-1H-pyrrolo[3,2-c]pyridine?
The InChIKey is BLYBOHCREWNVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2O2S/c1-8-2-4-9(5-3-8)21(19,20)11-7-18-14(16)12-10(15)6-17-13(11)12/h2-7,17H,1H3.
What are the key properties of 3-bromo-4-chloro-7-(4-methylphenyl)sulfonyl-1H-pyrrolo[3,2-c]pyridine?
3-bromo-4-chloro-7-(4-methylphenyl)sulfonyl-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 385.67 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-7-(4-methylphenyl)sulfonyl-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 91092393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).