N-[3-(3-chloro-9H-pyrido[2,3-b]indole-6-carbonyl)-2-fluorophenyl]propane-1-sulfonamide

C21H17ClFN3O3S — CID 146277606

IUPACN-[3-(3-chloro-9H-pyrido[2,3-b]indole-6-carbonyl)-2-fluorophenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)c2ccc3[nH]c4ncc(Cl)cc4c3c2)c1F
InChIInChI=1S/C21H17ClFN3O3S/c1-2-8-30(28,29)26-18-5-3-4-14(19(18)23)20(27)12-6-7-17-15(9-12)16-10-13(22)11-24-21(16)25-17/h3-7,9-11,26H,2,8H2,1H3,(H,24,25)
InChIKeyOKJCMESKRSFWQJ-UHFFFAOYSA-N
MW445.90 g/mol
LogP4.89
Rot. Bonds6

About N-[3-(3-chloro-9H-pyrido[2,3-b]indole-6-carbonyl)-2-fluorophenyl]propane-1-sulfonamide

N-[3-(3-chloro-9H-pyrido[2,3-b]indole-6-carbonyl)-2-fluorophenyl]propane-1-sulfonamide (PubChem CID 146277606) has the molecular formula C21H17ClFN3O3S and a molecular weight of 445.90 g/mol. Its IUPAC name is N-[3-(3-chloro-9H-pyrido[2,3-b]indole-6-carbonyl)-2-fluorophenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(3-chloro-9H-pyrido[2,3-b]indole-6-carbonyl)-2-fluorophenyl]propane-1-sulfonamide
PubChem CID146277606
Molecular FormulaC21H17ClFN3O3S
Molecular Weight445.90 g/mol
Exact Mass445.07
IUPAC NameN-[3-(3-chloro-9H-pyrido[2,3-b]indole-6-carbonyl)-2-fluorophenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)c2ccc3[nH]c4ncc(Cl)cc4c3c2)c1F
InChIInChI=1S/C21H17ClFN3O3S/c1-2-8-30(28,29)26-18-5-3-4-14(19(18)23)20(27)12-6-7-17-15(9-12)16-10-13(22)11-24-21(16)25-17/h3-7,9-11,26H,2,8H2,1H3,(H,24,25)
InChIKeyOKJCMESKRSFWQJ-UHFFFAOYSA-N
XLogP4.89
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.90
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(3-chloro-9H-pyrido[2,3-b]indole-6-carbonyl)-2-fluorophenyl]propane-1-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chloro-9H-pyrido[2,3-b]indole-6-carbonyl)-2-fluorophenyl]propane-1-sulfonamide?
The IUPAC name of N-[3-(3-chloro-9H-pyrido[2,3-b]indole-6-carbonyl)-2-fluorophenyl]propane-1-sulfonamide (CID 146277606) is N-[3-(3-chloro-9H-pyrido[2,3-b]indole-6-carbonyl)-2-fluorophenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[3-(3-chloro-9H-pyrido[2,3-b]indole-6-carbonyl)-2-fluorophenyl]propane-1-sulfonamide?
The canonical SMILES for N-[3-(3-chloro-9H-pyrido[2,3-b]indole-6-carbonyl)-2-fluorophenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1cccc(C(=O)c2ccc3[nH]c4ncc(Cl)cc4c3c2)c1F.
What is the InChIKey of N-[3-(3-chloro-9H-pyrido[2,3-b]indole-6-carbonyl)-2-fluorophenyl]propane-1-sulfonamide?
The InChIKey is OKJCMESKRSFWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN3O3S/c1-2-8-30(28,29)26-18-5-3-4-14(19(18)23)20(27)12-6-7-17-15(9-12)16-10-13(22)11-24-21(16)25-17/h3-7,9-11,26H,2,8H2,1H3,(H,24,25).
What are the key properties of N-[3-(3-chloro-9H-pyrido[2,3-b]indole-6-carbonyl)-2-fluorophenyl]propane-1-sulfonamide?
N-[3-(3-chloro-9H-pyrido[2,3-b]indole-6-carbonyl)-2-fluorophenyl]propane-1-sulfonamide has a molecular weight of 445.90 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chloro-9H-pyrido[2,3-b]indole-6-carbonyl)-2-fluorophenyl]propane-1-sulfonamide is sourced from PubChem (CID 146277606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).