4-(dimethylsulfamoylamino)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]benzenesulfonamide

C16H23N5O4S2 — CID 131936329

IUPAC4-(dimethylsulfamoylamino)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]benzenesulfonamide
SMILESCc1cnccc1NCCNS(=O)(=O)c1ccc(NS(=O)(=O)N(C)C)cc1
InChIInChI=1S/C16H23N5O4S2/c1-13-12-17-9-8-16(13)18-10-11-19-26(22,23)15-6-4-14(5-7-15)20-27(24,25)21(2)3/h4-9,12,19-20H,10-11H2,1-3H3,(H,17,18)
InChIKeyMWUSEVDBPGHULK-UHFFFAOYSA-N
MW413.53 g/mol
LogP1.00
Rot. Bonds9

About 4-(dimethylsulfamoylamino)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]benzenesulfonamide

4-(dimethylsulfamoylamino)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]benzenesulfonamide (PubChem CID 131936329) has the molecular formula C16H23N5O4S2 and a molecular weight of 413.53 g/mol. Its IUPAC name is 4-(dimethylsulfamoylamino)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(dimethylsulfamoylamino)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]benzenesulfonamide
PubChem CID131936329
Molecular FormulaC16H23N5O4S2
Molecular Weight413.53 g/mol
Exact Mass413.12
IUPAC Name4-(dimethylsulfamoylamino)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]benzenesulfonamide
SMILESCc1cnccc1NCCNS(=O)(=O)c1ccc(NS(=O)(=O)N(C)C)cc1
InChIInChI=1S/C16H23N5O4S2/c1-13-12-17-9-8-16(13)18-10-11-19-26(22,23)15-6-4-14(5-7-15)20-27(24,25)21(2)3/h4-9,12,19-20H,10-11H2,1-3H3,(H,17,18)
InChIKeyMWUSEVDBPGHULK-UHFFFAOYSA-N
XLogP1.00
TPSA120.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(dimethylsulfamoylamino)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]benzenesulfonamide with MolForge

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Related Compounds

1-methyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]pyrazole-4-sulfonamide
CID 131949227
3-methyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 131942865
4-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 66524316
4-amino-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63669666
N-(4-methyl-3-pyridinyl)-4-(propylamino)benzenesulfonamide
CID 63328119
3-[[4-(dimethylsulfamoylamino)anilino]methyl]pyridine
CID 112983066
N-[2-[2-[(3-methyl-4-pyridinyl)amino]ethylamino]propyl]ethanesulfonamide
CID 131945504
4-acetyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63670374
N-(3-fluoro-4-pyridinyl)-4-(propylamino)benzenesulfonamide
CID 107595393
4-(3-methyl-4-pyridinyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 165409513
N-[2-[(3-bromo-4-pyridinyl)amino]ethyl]methanesulfonamide
CID 104776803
N-[2-(dimethylamino)ethyl]-4-pyridin-4-ylbenzenesulfonamide
CID 110454140

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoylamino)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-(dimethylsulfamoylamino)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]benzenesulfonamide (CID 131936329) is 4-(dimethylsulfamoylamino)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-(dimethylsulfamoylamino)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-(dimethylsulfamoylamino)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]benzenesulfonamide is Cc1cnccc1NCCNS(=O)(=O)c1ccc(NS(=O)(=O)N(C)C)cc1.
What is the InChIKey of 4-(dimethylsulfamoylamino)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]benzenesulfonamide?
The InChIKey is MWUSEVDBPGHULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O4S2/c1-13-12-17-9-8-16(13)18-10-11-19-26(22,23)15-6-4-14(5-7-15)20-27(24,25)21(2)3/h4-9,12,19-20H,10-11H2,1-3H3,(H,17,18).
What are the key properties of 4-(dimethylsulfamoylamino)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]benzenesulfonamide?
4-(dimethylsulfamoylamino)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]benzenesulfonamide has a molecular weight of 413.53 g/mol, XLogP of 1.00, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoylamino)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 131936329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).