4-[[6-amino-5-(thiophene-2-carbonyl)-2-pyridinyl]amino]-N,N-dimethylbenzenesulfonamide

C18H18N4O3S2 — CID 5330838

IUPAC4-[[6-amino-5-(thiophene-2-carbonyl)-2-pyridinyl]amino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(Nc2ccc(C(=O)c3cccs3)c(N)n2)cc1
InChIInChI=1S/C18H18N4O3S2/c1-22(2)27(24,25)13-7-5-12(6-8-13)20-16-10-9-14(18(19)21-16)17(23)15-4-3-11-26-15/h3-11H,1-2H3,(H3,19,20,21)
InChIKeyOXHPVDKXNURGLK-UHFFFAOYSA-N
MW402.50 g/mol
LogP2.95
Rot. Bonds6

About 4-[[6-amino-5-(thiophene-2-carbonyl)-2-pyridinyl]amino]-N,N-dimethylbenzenesulfonamide

4-[[6-amino-5-(thiophene-2-carbonyl)-2-pyridinyl]amino]-N,N-dimethylbenzenesulfonamide (PubChem CID 5330838) has the molecular formula C18H18N4O3S2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 4-[[6-amino-5-(thiophene-2-carbonyl)-2-pyridinyl]amino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[6-amino-5-(thiophene-2-carbonyl)-2-pyridinyl]amino]-N,N-dimethylbenzenesulfonamide
PubChem CID5330838
Molecular FormulaC18H18N4O3S2
Molecular Weight402.50 g/mol
Exact Mass402.08
IUPAC Name4-[[6-amino-5-(thiophene-2-carbonyl)-2-pyridinyl]amino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(Nc2ccc(C(=O)c3cccs3)c(N)n2)cc1
InChIInChI=1S/C18H18N4O3S2/c1-22(2)27(24,25)13-7-5-12(6-8-13)20-16-10-9-14(18(19)21-16)17(23)15-4-3-11-26-15/h3-11H,1-2H3,(H3,19,20,21)
InChIKeyOXHPVDKXNURGLK-UHFFFAOYSA-N
XLogP2.95
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-amino-5-(thiophene-2-carbonyl)-2-pyridinyl]amino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[[6-amino-5-(thiophene-2-carbonyl)-2-pyridinyl]amino]-N,N-dimethylbenzenesulfonamide (CID 5330838) is 4-[[6-amino-5-(thiophene-2-carbonyl)-2-pyridinyl]amino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[[6-amino-5-(thiophene-2-carbonyl)-2-pyridinyl]amino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[[6-amino-5-(thiophene-2-carbonyl)-2-pyridinyl]amino]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(Nc2ccc(C(=O)c3cccs3)c(N)n2)cc1.
What is the InChIKey of 4-[[6-amino-5-(thiophene-2-carbonyl)-2-pyridinyl]amino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is OXHPVDKXNURGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S2/c1-22(2)27(24,25)13-7-5-12(6-8-13)20-16-10-9-14(18(19)21-16)17(23)15-4-3-11-26-15/h3-11H,1-2H3,(H3,19,20,21).
What are the key properties of 4-[[6-amino-5-(thiophene-2-carbonyl)-2-pyridinyl]amino]-N,N-dimethylbenzenesulfonamide?
4-[[6-amino-5-(thiophene-2-carbonyl)-2-pyridinyl]amino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 402.50 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-amino-5-(thiophene-2-carbonyl)-2-pyridinyl]amino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 5330838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).