4-[6-amino-5-(6-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzenesulfonamide

C20H18FN5O2S — CID 91800696

IUPAC4-[6-amino-5-(6-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nc4ccc(F)cc4[nH]3)c2)cc1
InChIInChI=1S/C20H18FN5O2S/c1-26(2)29(27,28)15-6-3-12(4-7-15)13-9-16(19(22)23-11-13)20-24-17-8-5-14(21)10-18(17)25-20/h3-11H,1-2H3,(H2,22,23)(H,24,25)
InChIKeyQMQNAOJIOKEVMR-UHFFFAOYSA-N
MW411.46 g/mol
LogP3.26
Rot. Bonds4

About 4-[6-amino-5-(6-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzenesulfonamide

4-[6-amino-5-(6-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 91800696) has the molecular formula C20H18FN5O2S and a molecular weight of 411.46 g/mol. Its IUPAC name is 4-[6-amino-5-(6-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[6-amino-5-(6-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzenesulfonamide
PubChem CID91800696
Molecular FormulaC20H18FN5O2S
Molecular Weight411.46 g/mol
Exact Mass411.12
IUPAC Name4-[6-amino-5-(6-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nc4ccc(F)cc4[nH]3)c2)cc1
InChIInChI=1S/C20H18FN5O2S/c1-26(2)29(27,28)15-6-3-12(4-7-15)13-9-16(19(22)23-11-13)20-24-17-8-5-14(21)10-18(17)25-20/h3-11H,1-2H3,(H2,22,23)(H,24,25)
InChIKeyQMQNAOJIOKEVMR-UHFFFAOYSA-N
XLogP3.26
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[6-amino-5-(6-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzenesulfonamide with MolForge

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Related Compounds

Sb-203580
CID 176155
Adezmapimod, (S)-
CID 9543416
N,N-Dimethyl-4-[(6r)-6-Methyl-5-(1h-Pyrrolo[2,3-B]pyridin-4-Yl)-4,5,6,7-Tetrahydropyrazolo[1,5-A]pyrazin-3-Yl]benzenesulfonamide
CID 86306050
2,4-Diaminopyrimidine-based antagonist, 7
CID 11846463
N-(1,1-Dioxidotetrahydro-2h-Thiopyran-4-Yl)-4-[2-(1-Methylethyl)-1h-Pyrrolo[2,3-B]pyridin-4-Yl]benzenesulfonamide
CID 59744451
4-fluoro-N-(1H-imidazol-2-ylmethyl)-N-(2-phenylphenyl)benzene-1-sulfonamide
CID 121231398
CDK2 inhibitor 73
CID 123132899
3-(1H-benzimidazol-2-yl)-5-phenylpyridin-2-amine
CID 10379252
N-[2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridin-3-yl]benzenesulphonamide
CID 23652981
4-(dimethylamino)-N-methyl-3-[[6-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide
CID 54675501
N-(3-(3-(9H-purin-6-yl)pyridin-2-ylamino)-2,4-difluorophenyl)pyridin-3-sulfonamide
CID 57345328
N-methyl-3-[[6-(3-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide
CID 67995956

Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-5-(6-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[6-amino-5-(6-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzenesulfonamide (CID 91800696) is 4-[6-amino-5-(6-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[6-amino-5-(6-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[6-amino-5-(6-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nc4ccc(F)cc4[nH]3)c2)cc1.
What is the InChIKey of 4-[6-amino-5-(6-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is QMQNAOJIOKEVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2S/c1-26(2)29(27,28)15-6-3-12(4-7-15)13-9-16(19(22)23-11-13)20-24-17-8-5-14(21)10-18(17)25-20/h3-11H,1-2H3,(H2,22,23)(H,24,25).
What are the key properties of 4-[6-amino-5-(6-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzenesulfonamide?
4-[6-amino-5-(6-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 411.46 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-5-(6-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 91800696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).