N-[3-(1H-indol-4-yl)-5-(pyridin-3-ylamino)phenyl]methanesulfonamide

C20H18N4O2S — CID 15603084

IUPACN-[3-(1H-indol-4-yl)-5-(pyridin-3-ylamino)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(Nc2cccnc2)cc(-c2cccc3[nH]ccc23)c1
InChIInChI=1S/C20H18N4O2S/c1-27(25,26)24-17-11-14(18-5-2-6-20-19(18)7-9-22-20)10-16(12-17)23-15-4-3-8-21-13-15/h2-13,22-24H,1H3
InChIKeyIRWHCPGEFRAPPQ-UHFFFAOYSA-N
MW378.46 g/mol
LogP4.34
Rot. Bonds5

About N-[3-(1H-indol-4-yl)-5-(pyridin-3-ylamino)phenyl]methanesulfonamide

N-[3-(1H-indol-4-yl)-5-(pyridin-3-ylamino)phenyl]methanesulfonamide (PubChem CID 15603084) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is N-[3-(1H-indol-4-yl)-5-(pyridin-3-ylamino)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(1H-indol-4-yl)-5-(pyridin-3-ylamino)phenyl]methanesulfonamide
PubChem CID15603084
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC NameN-[3-(1H-indol-4-yl)-5-(pyridin-3-ylamino)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(Nc2cccnc2)cc(-c2cccc3[nH]ccc23)c1
InChIInChI=1S/C20H18N4O2S/c1-27(25,26)24-17-11-14(18-5-2-6-20-19(18)7-9-22-20)10-16(12-17)23-15-4-3-8-21-13-15/h2-13,22-24H,1H3
InChIKeyIRWHCPGEFRAPPQ-UHFFFAOYSA-N
XLogP4.34
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

CID 4440
CID 4440
CID 11609586
CID 11609586
CID 2737722
CID 2737722
CID 4605800
CID 4605800
CID 68788
CID 68788
CID 68847
CID 68847
CID 10154392
CID 10154392
CID 10334023
CID 10334023
CID 563075
CID 563075
CID 2475352
CID 2475352
CID 52562
CID 52562
CID 582771
CID 582771

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-indol-4-yl)-5-(pyridin-3-ylamino)phenyl]methanesulfonamide?
The IUPAC name of N-[3-(1H-indol-4-yl)-5-(pyridin-3-ylamino)phenyl]methanesulfonamide (CID 15603084) is N-[3-(1H-indol-4-yl)-5-(pyridin-3-ylamino)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(1H-indol-4-yl)-5-(pyridin-3-ylamino)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(1H-indol-4-yl)-5-(pyridin-3-ylamino)phenyl]methanesulfonamide is CS(=O)(=O)Nc1cc(Nc2cccnc2)cc(-c2cccc3[nH]ccc23)c1.
What is the InChIKey of N-[3-(1H-indol-4-yl)-5-(pyridin-3-ylamino)phenyl]methanesulfonamide?
The InChIKey is IRWHCPGEFRAPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-27(25,26)24-17-11-14(18-5-2-6-20-19(18)7-9-22-20)10-16(12-17)23-15-4-3-8-21-13-15/h2-13,22-24H,1H3.
What are the key properties of N-[3-(1H-indol-4-yl)-5-(pyridin-3-ylamino)phenyl]methanesulfonamide?
N-[3-(1H-indol-4-yl)-5-(pyridin-3-ylamino)phenyl]methanesulfonamide has a molecular weight of 378.46 g/mol, XLogP of 4.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-indol-4-yl)-5-(pyridin-3-ylamino)phenyl]methanesulfonamide is sourced from PubChem (CID 15603084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).