N-[3-(dimethylamino)propyl]-3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide

C19H24N4O2S — CID 170502375

IUPACN-[3-(dimethylamino)propyl]-3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCCN(C)C)ccc1-c1cnc2[nH]ccc2c1
InChIInChI=1S/C19H24N4O2S/c1-14-11-17(26(24,25)22-8-4-10-23(2)3)5-6-18(14)16-12-15-7-9-20-19(15)21-13-16/h5-7,9,11-13,22H,4,8,10H2,1-3H3,(H,20,21)
InChIKeyPWHZMSPTNPZBPK-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.77
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide

N-[3-(dimethylamino)propyl]-3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide (PubChem CID 170502375) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide
PubChem CID170502375
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC NameN-[3-(dimethylamino)propyl]-3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCCN(C)C)ccc1-c1cnc2[nH]ccc2c1
InChIInChI=1S/C19H24N4O2S/c1-14-11-17(26(24,25)22-8-4-10-23(2)3)5-6-18(14)16-12-15-7-9-20-19(15)21-13-16/h5-7,9,11-13,22H,4,8,10H2,1-3H3,(H,20,21)
InChIKeyPWHZMSPTNPZBPK-UHFFFAOYSA-N
XLogP2.77
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylamino)propyl]-3H-benzimidazole-5-sulfonamide
CID 110759938
N-[3-(dimethylamino)propyl]-2-methyl-3H-benzimidazole-5-sulfonamide
CID 110760105
N',N'-dimethyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]ethane-1,2-diamine
CID 141301509
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(1H-imidazol-2-yl)propyl]-3-methylbenzenesulfonamide
CID 171389298
N-butyl-4-(5-fluoro-3-pyridinyl)-3-methylbenzenesulfonamide
CID 174583658
6-N,15-N,24-N-tris[3-(dimethylamino)propyl]-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31,33,35-nonadecaene-6,15,24-trisulfonamide
CID 135518460
2-amino-N-[3-(dimethylamino)propyl]pyridine-4-sulfonamide
CID 62145237
N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113010999
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
N-[3-[benzyl(methyl)amino]propyl]-3,4-dimethylbenzenesulfonamide
CID 110446606
N-[2-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propylamino]ethyl]benzenesulfonamide
CID 155523205
N-[3-[2-(dimethylamino)ethoxy]propyl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide
CID 23648916

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide (CID 170502375) is N-[3-(dimethylamino)propyl]-3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide is Cc1cc(S(=O)(=O)NCCCN(C)C)ccc1-c1cnc2[nH]ccc2c1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide?
The InChIKey is PWHZMSPTNPZBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-14-11-17(26(24,25)22-8-4-10-23(2)3)5-6-18(14)16-12-15-7-9-20-19(15)21-13-16/h5-7,9,11-13,22H,4,8,10H2,1-3H3,(H,20,21).
What are the key properties of N-[3-(dimethylamino)propyl]-3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide?
N-[3-(dimethylamino)propyl]-3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide has a molecular weight of 372.49 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide is sourced from PubChem (CID 170502375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).