N-[4-(6,7-dichloro-3H-pyrrolo[3,2-b]pyridin-2-yl)phenyl]-4-methoxybenzenesulfonamide

C20H15Cl2N3O3S — CID 159412968

IUPACN-[4-(6,7-dichloro-3H-pyrrolo[3,2-b]pyridin-2-yl)phenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C3=Nc4c(ncc(Cl)c4Cl)C3)cc2)cc1
InChIInChI=1S/C20H15Cl2N3O3S/c1-28-14-6-8-15(9-7-14)29(26,27)25-13-4-2-12(3-5-13)17-10-18-20(24-17)19(22)16(21)11-23-18/h2-9,11,25H,10H2,1H3
InChIKeyKZYFDGIJZMKRJJ-UHFFFAOYSA-N
MW448.33 g/mol
LogP4.87
Rot. Bonds5

About N-[4-(6,7-dichloro-3H-pyrrolo[3,2-b]pyridin-2-yl)phenyl]-4-methoxybenzenesulfonamide

N-[4-(6,7-dichloro-3H-pyrrolo[3,2-b]pyridin-2-yl)phenyl]-4-methoxybenzenesulfonamide (PubChem CID 159412968) has the molecular formula C20H15Cl2N3O3S and a molecular weight of 448.33 g/mol. Its IUPAC name is N-[4-(6,7-dichloro-3H-pyrrolo[3,2-b]pyridin-2-yl)phenyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(6,7-dichloro-3H-pyrrolo[3,2-b]pyridin-2-yl)phenyl]-4-methoxybenzenesulfonamide
PubChem CID159412968
Molecular FormulaC20H15Cl2N3O3S
Molecular Weight448.33 g/mol
Exact Mass447.02
IUPAC NameN-[4-(6,7-dichloro-3H-pyrrolo[3,2-b]pyridin-2-yl)phenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C3=Nc4c(ncc(Cl)c4Cl)C3)cc2)cc1
InChIInChI=1S/C20H15Cl2N3O3S/c1-28-14-6-8-15(9-7-14)29(26,27)25-13-4-2-12(3-5-13)17-10-18-20(24-17)19(22)16(21)11-23-18/h2-9,11,25H,10H2,1H3
InChIKeyKZYFDGIJZMKRJJ-UHFFFAOYSA-N
XLogP4.87
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.33
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(6,7-dichloro-3H-pyrrolo[3,2-b]pyridin-2-yl)phenyl]-4-methoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
4-chloro-N-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]benzenesulfonamide
CID 10527153
4-chloro-N-[4-[3-(4-methoxyphenyl)-2-propan-2-yl-3,4-dihydropyrazol-5-yl]phenyl]benzenesulfonamide
CID 71085024
4-chloro-N-[4-[4-(4-methoxyphenyl)pyrazol-1-yl]phenyl]benzenesulfonamide
CID 4149169
N-(4-anilinophenyl)-4-methoxybenzenesulfonamide
CID 1011074
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
N-(3-chloro-4-ethoxyphenyl)-4-methoxybenzenesulfonamide
CID 110777436
N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-methoxybenzenesulfonamide
CID 90557364
N-(6-fluoro-3-pyridinyl)-4-methoxybenzenesulfonamide
CID 103775697
4-methoxy-N-[4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide
CID 66714466
N-[4-(cyclopropylamino)phenyl]-4-methoxybenzenesulfonamide
CID 112980023

Frequently Asked Questions

What is the IUPAC name of N-[4-(6,7-dichloro-3H-pyrrolo[3,2-b]pyridin-2-yl)phenyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[4-(6,7-dichloro-3H-pyrrolo[3,2-b]pyridin-2-yl)phenyl]-4-methoxybenzenesulfonamide (CID 159412968) is N-[4-(6,7-dichloro-3H-pyrrolo[3,2-b]pyridin-2-yl)phenyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[4-(6,7-dichloro-3H-pyrrolo[3,2-b]pyridin-2-yl)phenyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[4-(6,7-dichloro-3H-pyrrolo[3,2-b]pyridin-2-yl)phenyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(C3=Nc4c(ncc(Cl)c4Cl)C3)cc2)cc1.
What is the InChIKey of N-[4-(6,7-dichloro-3H-pyrrolo[3,2-b]pyridin-2-yl)phenyl]-4-methoxybenzenesulfonamide?
The InChIKey is KZYFDGIJZMKRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N3O3S/c1-28-14-6-8-15(9-7-14)29(26,27)25-13-4-2-12(3-5-13)17-10-18-20(24-17)19(22)16(21)11-23-18/h2-9,11,25H,10H2,1H3.
What are the key properties of N-[4-(6,7-dichloro-3H-pyrrolo[3,2-b]pyridin-2-yl)phenyl]-4-methoxybenzenesulfonamide?
N-[4-(6,7-dichloro-3H-pyrrolo[3,2-b]pyridin-2-yl)phenyl]-4-methoxybenzenesulfonamide has a molecular weight of 448.33 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6,7-dichloro-3H-pyrrolo[3,2-b]pyridin-2-yl)phenyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 159412968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).