N,N-dimethyl-4-[[2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]benzenesulfonamide

C18H18N6O2S — CID 66548849

IUPACN,N-dimethyl-4-[[2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(Nc2cc3[nH]c(-c4cn[nH]c4)cc3cn2)cc1
InChIInChI=1S/C18H18N6O2S/c1-24(2)27(25,26)15-5-3-14(4-6-15)22-18-8-17-12(9-19-18)7-16(23-17)13-10-20-21-11-13/h3-11,23H,1-2H3,(H,19,22)(H,20,21)
InChIKeyIIBNWMLKRSXDKD-UHFFFAOYSA-N
MW382.45 g/mol
LogP2.95
Rot. Bonds5

About N,N-dimethyl-4-[[2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]benzenesulfonamide

N,N-dimethyl-4-[[2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]benzenesulfonamide (PubChem CID 66548849) has the molecular formula C18H18N6O2S and a molecular weight of 382.45 g/mol. Its IUPAC name is N,N-dimethyl-4-[[2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]benzenesulfonamide
PubChem CID66548849
Molecular FormulaC18H18N6O2S
Molecular Weight382.45 g/mol
Exact Mass382.12
IUPAC NameN,N-dimethyl-4-[[2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(Nc2cc3[nH]c(-c4cn[nH]c4)cc3cn2)cc1
InChIInChI=1S/C18H18N6O2S/c1-24(2)27(25,26)15-5-3-14(4-6-15)22-18-8-17-12(9-19-18)7-16(23-17)13-10-20-21-11-13/h3-11,23H,1-2H3,(H,19,22)(H,20,21)
InChIKeyIIBNWMLKRSXDKD-UHFFFAOYSA-N
XLogP2.95
TPSA106.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[[2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]benzenesulfonamide (CID 66548849) is N,N-dimethyl-4-[[2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[[2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[[2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]benzenesulfonamide is CN(C)S(=O)(=O)c1ccc(Nc2cc3[nH]c(-c4cn[nH]c4)cc3cn2)cc1.
What is the InChIKey of N,N-dimethyl-4-[[2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]benzenesulfonamide?
The InChIKey is IIBNWMLKRSXDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2S/c1-24(2)27(25,26)15-5-3-14(4-6-15)22-18-8-17-12(9-19-18)7-16(23-17)13-10-20-21-11-13/h3-11,23H,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N,N-dimethyl-4-[[2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]benzenesulfonamide?
N,N-dimethyl-4-[[2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]benzenesulfonamide has a molecular weight of 382.45 g/mol, XLogP of 2.95, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]benzenesulfonamide is sourced from PubChem (CID 66548849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).