N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)methanesulfonamide

C12H10ClN3O2S — CID 21362756

IUPACN-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(Cl)cc2c1[nH]c1cnccc12
InChIInChI=1S/C12H10ClN3O2S/c1-19(17,18)16-10-5-7(13)4-9-8-2-3-14-6-11(8)15-12(9)10/h2-6,15-16H,1H3
InChIKeyYKCBNFRVVULBIA-UHFFFAOYSA-N
MW295.75 g/mol
LogP2.74
Rot. Bonds2

About N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)methanesulfonamide

N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)methanesulfonamide (PubChem CID 21362756) has the molecular formula C12H10ClN3O2S and a molecular weight of 295.75 g/mol. Its IUPAC name is N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)methanesulfonamide
PubChem CID21362756
Molecular FormulaC12H10ClN3O2S
Molecular Weight295.75 g/mol
Exact Mass295.02
IUPAC NameN-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(Cl)cc2c1[nH]c1cnccc12
InChIInChI=1S/C12H10ClN3O2S/c1-19(17,18)16-10-5-7(13)4-9-8-2-3-14-6-11(8)15-12(9)10/h2-6,15-16H,1H3
InChIKeyYKCBNFRVVULBIA-UHFFFAOYSA-N
XLogP2.74
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)methanesulfonamide?
The IUPAC name of N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)methanesulfonamide (CID 21362756) is N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)methanesulfonamide.
What is the SMILES notation for N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)methanesulfonamide?
The canonical SMILES for N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)methanesulfonamide is CS(=O)(=O)Nc1cc(Cl)cc2c1[nH]c1cnccc12.
What is the InChIKey of N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)methanesulfonamide?
The InChIKey is YKCBNFRVVULBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2S/c1-19(17,18)16-10-5-7(13)4-9-8-2-3-14-6-11(8)15-12(9)10/h2-6,15-16H,1H3.
What are the key properties of N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)methanesulfonamide?
N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)methanesulfonamide has a molecular weight of 295.75 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)methanesulfonamide is sourced from PubChem (CID 21362756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).