7-benzylsulfonyl-2-chloro-N-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine

C20H17ClN4O3S — CID 141331023

IUPAC7-benzylsulfonyl-2-chloro-N-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(Nc2nc(Cl)nc3c2ccn3S(=O)(=O)Cc2ccccc2)cc1
InChIInChI=1S/C20H17ClN4O3S/c1-28-16-9-7-15(8-10-16)22-18-17-11-12-25(19(17)24-20(21)23-18)29(26,27)13-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,22,23,24)
InChIKeyWKWFFWIKADARGY-UHFFFAOYSA-N
MW428.90 g/mol
LogP4.22
Rot. Bonds6

About 7-benzylsulfonyl-2-chloro-N-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine

7-benzylsulfonyl-2-chloro-N-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 141331023) has the molecular formula C20H17ClN4O3S and a molecular weight of 428.90 g/mol. Its IUPAC name is 7-benzylsulfonyl-2-chloro-N-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-benzylsulfonyl-2-chloro-N-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID141331023
Molecular FormulaC20H17ClN4O3S
Molecular Weight428.90 g/mol
Exact Mass428.07
IUPAC Name7-benzylsulfonyl-2-chloro-N-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(Nc2nc(Cl)nc3c2ccn3S(=O)(=O)Cc2ccccc2)cc1
InChIInChI=1S/C20H17ClN4O3S/c1-28-16-9-7-15(8-10-16)22-18-17-11-12-25(19(17)24-20(21)23-18)29(26,27)13-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,22,23,24)
InChIKeyWKWFFWIKADARGY-UHFFFAOYSA-N
XLogP4.22
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.90
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-benzylsulfonyl-2-chloro-N-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine 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

2-chloro-7-[(4-methoxyphenyl)methyl]-N-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 118515683
2,6-dichloro-4-N,8-N-bis(4-methoxyphenyl)pyrimido[5,4-d]pyrimidine-4,8-diamine
CID 11113034
7-benzylsulfonyl-2-chloro-4-(4-fluoro-1-methylindol-3-yl)pyrrolo[2,3-d]pyrimidine
CID 171779657
1-benzylsulfonyl-5-methoxypyrrolo[3,2-b]pyridine
CID 74891255
N-benzyl-2-chloro-9-[(4-methoxyphenyl)methyl]purin-6-amine
CID 24777798
4-N-(2-chloro-6,7-dimethoxyquinazolin-4-yl)-1-N-phenylbenzene-1,4-diamine
CID 22693012
4-benzyl-N-(4-methoxyphenyl)aniline
CID 175329182
2-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 23824682
9-benzyl-2-chloro-N-phenylpurin-6-amine;hydrochloride
CID 127258073
7-benzylsulfonyl-N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]methyl]-2-chloro-5-iodopyrrolo[2,3-d]pyrimidin-4-amine
CID 168916727
6-chloro-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23191
3-benzylsulfonyl-N-(3,5-dimethoxyphenyl)quinoxalin-2-amine
CID 141211320

Frequently Asked Questions

What is the IUPAC name of 7-benzylsulfonyl-2-chloro-N-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-benzylsulfonyl-2-chloro-N-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 141331023) is 7-benzylsulfonyl-2-chloro-N-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-benzylsulfonyl-2-chloro-N-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-benzylsulfonyl-2-chloro-N-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine is COc1ccc(Nc2nc(Cl)nc3c2ccn3S(=O)(=O)Cc2ccccc2)cc1.
What is the InChIKey of 7-benzylsulfonyl-2-chloro-N-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is WKWFFWIKADARGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O3S/c1-28-16-9-7-15(8-10-16)22-18-17-11-12-25(19(17)24-20(21)23-18)29(26,27)13-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,22,23,24).
What are the key properties of 7-benzylsulfonyl-2-chloro-N-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
7-benzylsulfonyl-2-chloro-N-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 428.90 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzylsulfonyl-2-chloro-N-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 141331023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).