N-cyclopropyl-N-methyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide

C15H19N3O2S2 — CID 71997918

IUPACN-cyclopropyl-N-methyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide
SMILESCc1ncc(CNc2ccc(S(=O)(=O)N(C)C3CC3)cc2)s1
InChIInChI=1S/C15H19N3O2S2/c1-11-16-9-14(21-11)10-17-12-3-7-15(8-4-12)22(19,20)18(2)13-5-6-13/h3-4,7-9,13,17H,5-6,10H2,1-2H3
InChIKeyZDGQANJDIZYYCQ-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.85
Rot. Bonds6

About N-cyclopropyl-N-methyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide

N-cyclopropyl-N-methyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide (PubChem CID 71997918) has the molecular formula C15H19N3O2S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is N-cyclopropyl-N-methyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-methyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide
PubChem CID71997918
Molecular FormulaC15H19N3O2S2
Molecular Weight337.47 g/mol
Exact Mass337.09
IUPAC NameN-cyclopropyl-N-methyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide
SMILESCc1ncc(CNc2ccc(S(=O)(=O)N(C)C3CC3)cc2)s1
InChIInChI=1S/C15H19N3O2S2/c1-11-16-9-14(21-11)10-17-12-3-7-15(8-4-12)22(19,20)18(2)13-5-6-13/h3-4,7-9,13,17H,5-6,10H2,1-2H3
InChIKeyZDGQANJDIZYYCQ-UHFFFAOYSA-N
XLogP2.85
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-methyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-N-methyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide (CID 71997918) is N-cyclopropyl-N-methyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-methyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-N-methyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide is Cc1ncc(CNc2ccc(S(=O)(=O)N(C)C3CC3)cc2)s1.
What is the InChIKey of N-cyclopropyl-N-methyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide?
The InChIKey is ZDGQANJDIZYYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S2/c1-11-16-9-14(21-11)10-17-12-3-7-15(8-4-12)22(19,20)18(2)13-5-6-13/h3-4,7-9,13,17H,5-6,10H2,1-2H3.
What are the key properties of N-cyclopropyl-N-methyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide?
N-cyclopropyl-N-methyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide has a molecular weight of 337.47 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-methyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide is sourced from PubChem (CID 71997918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).